Название: 8-amino-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide;hydrochloride

SMILES: CN(C1=CC=CC=C1Cl)C(=O)C2=CC3=C(S2)C4=C(C=C(C=C4)N)OCC3.Cl

Molecular Processing

Molecular formula

C20H18Cl2N2O2S

Molecular weight

421.35

Exact mass

420.0466

XLogP

5.28

TPSA

55.56

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

0.15

Molar refractivity

114.8

Supplementary Information

InChIKey: ILMSUJXCTHDBAN-UHFFFAOYSA-N

Синонимы

SCHEMBL988440ILMSUJXCTHDBAN-UHFFFAOYSA-N8-amino-N-(2-chlorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide HCl salt