1-[4-[Bis(4-Fluorophenyl)Methyl]Piperazin-1-Yl]-3-[2-[(2-Methoxyphenoxy)Methyl]-1,3-Thiazolidin-3-Yl]Propane-1,3-Dione

: Iupac Name：1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]propane-1,3-dione; CAS No.: 161364-79-0; Molecular Weight：581.679; Modify Date.: 2022-11-23 10:19

1. Names and Identifiers

: 1.1 Name; 1-[4-[Bis(4-Fluorophenyl)Methyl]Piperazin-1-Yl]-3-[2-[(2-Methoxyphenoxy)Methyl]-1,3-Thiazolidin-3-Yl]Propane-1,3-Dione; 1.2 Synonyms; 1,3-Propanedione,1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-[2-[(2-methoxyphenoxy)methyl]-3-thiazolidinyl] 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-[2-[(2-methoxyphenox y)methyl]thiazolidin-3-yl]propane-1,3-dione 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]propane-1,3-dione 1-[4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL]-3-[2-[(2-METHOXYPHENOXY)METHYL]THIAZOLIDIN-3-YL]PROPANE-1,3-DIONE 1-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-3-[2-(2-methoxyphenoxymethyl)-1,3-thiazolidin-3-yl]propane-1,3-dione AC1MIO5X CHEMBL151580 CTK4D0815 dwniujlsezpcrp-uhfffaoysa-n HE226116 KB-217463 piperazine, 1-(bis(4-fluorophenyl)methyl)-4-(3-(2-((2-methoxyphenoxy)methyl)-3-thiazolidinyl)-1,3-dioxopropyl)- Piperazine,1-[bis(4-fluorophenyl)methyl]-4-[3-[2-[(2-methoxyphenoxy)methyl]-3-thiazolidinyl]-1,3-dioxopropyl]-(9CI); View all

1.6 Inchi: InChI=1S/C31H33F2N3O4S/c1-39-26-4-2-3-5-27(26)40-21-30-36(18-19-41-30)29(38)20-28(37)34-14-16-35(17-15-34)31(22-6-10-24(32)11-7-22)23-8-12-25(33)13-9-23/h2-13,30-31H,14-21H2,1H3

1.8 Canonical Smiles: COC1=CC=CC=C1OCC2N(CCS2)C(=O)CC(=O)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

1.9 Isomers Smiles: COC1=CC=CC=C1OCC2N(CCS2)C(=O)CC(=O)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

2. Properties

3. MSDS

no data available

no data available

4. Computational chemical data

Molecular Weight: 581.679g/mol
Molecular Formula: C₃₁H₃₃F₂N₃O₄S
Compound Is Canonicalized: True
XLogP3-AA: 4.8
Exact Mass: 581.21598404
Monoisotopic Mass: 581.21598404
Complexity: 825
Rotatable Bond Count: 9
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 8
Topological Polar Surface Area: 87.6
Heavy Atom Count: 41
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcfB7OYBAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAAABUAAAHwQAAAAADCzl2A6yBoMABAiIAiFSEACCCABgIBAIiAEOjIgPZiqM8RuXOCrkxhG6qAeQwMAOAAAAAAAAQAAAAAAAAACAAAAAAAAAAA==

6. Realated Product Infomation

103181-68-6 Thiazolidine, 2-((2-methoxyphenoxy)methyl)-

1263283-43-7 (S)-4,4'-(Propane-1,2-diyl)bis(piperazine-2,6-dione) hydrochloride

851472-82-7 1-[BIS(4-FLUOROPHENYL)METHYL]-4-(4-NITROPHENYL)PIPERAZINE

914349-64-7 1-[BIS(4-FLUOROPHENYL)METHYL]-4-(4-NITROBENZYL)PIPERAZINE

914349-65-8 4-(4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL)PHENYLAMINE

914349-63-6 4-(4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YLMETHYL)PHENYLAMINE

914349-58-9 4-(4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL)BENZALDEHYDE

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