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

SMILES: CN(C1=CC=CC=C1Cl)C(=O)C2=CC3=C(S2)C4=C(C=C(C=C4)NC(=O)COCC5=CC=CC=C5)OCC3

Molecular Processing

Molecular formula

C29H25ClN2O4S

Molecular weight

533.05

Exact mass

532.1224

XLogP

6.44

TPSA

67.87

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

0.172

Molar refractivity

147.87

Supplementary Information

InChIKey: CTVCAZBKPDUGFD-UHFFFAOYSA-N

Синонимы

SCHEMBL989114CTVCAZBKPDUGFD-UHFFFAOYSA-N8-(2-(benzyloxy)acetamido)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide