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CMF-019 structure
CMF-019 structure

CMF-019

CAS No.: 1586787-08-7
Molecular Weight:455.61
Modify Date.: 2022-11-01 14:45
1. Names and Identifiers
1.1 Name
CMF-019
1.2 CAS No.
1586787-08-7
1.3 Molecular Formula
C25H33N3O3S (isomer)
1.4 Inchi
InChI=1S/C25H33N3O3S/c1-5-19(6-2)28-22-10-9-17(25(31)26-18(12-16(3)4)14-24(29)30)13-21(22)27-23(28)15-20-8-7-11-32-20/h7-11,13,16,18-19H,5-6,12,14-15H2,1-4H3,(H,26,31)(H,29,30)/t18-/m0/s1
1.5 InChIkey
VCQKKZXFASLXAH-SFHVURJKSA-N
1.6 Canonical Smiles
CC(C)C[C@@H](CC(O)=O)NC(=O)C1C=CC2=C(C=1)N=C(CC1=CC=CS1)N2C(CC)CC
1.7 Isomers Smiles
CCC(N1C(=NC2=C1C=CC(C(O)=N[C@]([H])(CC(O)=O)CC(C)C)=C2)CC1SC=CC=1)CC
2. Properties
2.1 Density
1.2±0.1 g/cm3 (Predicted)
2.1 Boiling point
703.3±55.0 °C at 760 mmHg (Predicted)
2.1 Refractive index
1.614 (Predicted)
2.1 Flash Point
379.1±31.5 °C (Predicted)
2.1 logP
5.59 (Predicted)
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