11-benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0,]trideca-1(9),2,4,6-tetraen-3-ol structure

3D Mol Similar

11-benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0,]trideca-1(9),2,4,6-tetraen-3-ol

: Iupac Name：7-benzyl-2-(chloromethyl)-3,5,6,8-tetrahydropyrido[2,3]thieno[2,4-d]pyrimidin-4-one; CAS No.: 126718-85-2; Molecular Weight：345.845; Modify Date.: 2021-11-29 11:50

Request For Quotation

1. Names and Identifiers

: 1.1 Name; 11-benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0,]trideca-1(9),2,4,6-tetraen-3-ol; 1.2 Synonyms; 11-Benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo [7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ol 11-benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0,]trideca-1(9),2,4,6-tetraen-3-ol 2-(Chloromethyl)-5,6,7,8-tetrahydro-7-(phenylmethyl)pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one Pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 2-(chloromethyl)-5,6,7,8-tetrahydro-7-(phenylmethyl)-

1.3 CAS No.: 126718-85-2

1.4 CID: 23726753

1.5 Molecular Formula: C17H16ClN3OS (isomer)

1.6 Inchi: InChI=1S/C17H16ClN3OS/c18-8-14-19-16(22)15-12-6-7-21(9-11-4-2-1-3-5-11)10-13(12)23-17(15)20-14/h1-5H,6-10H2,(H,19,20,22)

1.7 InChIkey: XWJRDKHTXCEQGN-UHFFFAOYSA-N

1.8 Canonical Smiles: C1CN(CC2=C1C3=C(S2)N=C(NC3=O)CCl)CC4=CC=CC=C4

1.9 Isomers Smiles: C1CN(CC2=C1C3=C(S2)N=C(NC3=O)CCl)CC4=CC=CC=C4

2. Computational chemical data

Molecular Weight: 345.845g/mol
Molecular Formula: C₁₇H₁₆ClN₃OS
Compound Is Canonicalized: True
XLogP3-AA: 2.7
Exact Mass: 345.0702610
Monoisotopic Mass: 345.0702610
Complexity: 494
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 72.9
Heavy Atom Count: 23
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB7IABEAAAAAAAAAAAAAAAAASAAAAA8QIAAAAAAAFgBwAAAHgYQAAAADAPB2EQxgYPAAAisAiNydACDAIFkCBAJiBEYRMgIIDqg3ZHEIYhglACoyUcYgQAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

3. Recommended Suppliers

Global1SuppliersView all >>

Manchester Organics Trading Company

Tel:+44-(0)-1928 710 200

11-Benzyl-5-(chloromethyl)-8-thia-4,6,11-triazatricyclo [7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ol

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/11/25

Inquire

4. Realated Product Infomation

1367912-79-5 1,5,8-Triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

1044548-70-0 5-(chloromethyl)-8-thia-4,6-diazatricyclo[7.5.0.0,]tetradeca-1(9),2,4,6-tetraen-3-ol

869802-57-3 5-Cycloheptyl-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

$5-(2,4-dichlorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-8-amine$

338420-39-6 5-(2,4-dichlorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-8-amine

3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

2207569-08-0 3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

$2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(2-phenylethyl)acetamide$

379247-87-7 2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(2-phenylethyl)acetamide

$ethyl 12-chloro-8-oxa-3-thiatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),4,10,12-pentaene-4-carboxylate$

634157-18-9 ethyl 12-chloro-8-oxa-3-thiatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),4,10,12-pentaene-4-carboxylate

Recently Updated : 1564933-37-4 1566228-39-4 1567052-39-4 474558-55-9 1565743-82-9 1594871-98-3 2903520-96-5 1565577-46-9 1564881-39-5 1564771-46-5