Название: [(3R)-3-(4-chlorophenyl)-2,3-dihydrobenzo[f][1,4]benzothiazin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone

SMILES: C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N4CC(SC5=C4C6=CC=CC=C6C=C5)C7=CC=C(C=C7)Cl

Molecular Processing

Molecular formula

C33H27ClN2O3S2

Molecular weight

599.18

Exact mass

598.1152

XLogP

7.68

TPSA

57.69

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

0.182

Molar refractivity

167.21

Supplementary Information

InChIKey: RYOFTPZFIXEODZ-SMCANUKXSA-N

Синонимы

SCHEMBL7271318RYOFTPZFIXEODZ-SMCANUKXSA-N(R)-3-(4-chlorophenyl)-1-[(S)-N-(2-naphthalenesulfonyl)prolyl]-2,3-dihydro-1H-naphtho[2,1-b][1,4]thiazine