Nom: 2-(chloromethyl)-N-[(4-chlorophenyl)methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide

SMILES: CC1=C(SC2=C1N(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)CCl

Molecular Processing

Molecular formula

C18H16Cl2N2O2S

Molecular weight

395.31

Exact mass

394.031

XLogP

4.23

TPSA

51.1

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.222

Molar refractivity

103.98

Supplementary Information

InChIKey: OMVDHXNOPRYLTH-UHFFFAOYSA-N

Synonymes

SCHEMBL6325235OMVDHXNOPRYLTH-UHFFFAOYSA-NN-(4-chlorobenzyl)-2-(chloromethyl)-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide