Название: N-(2,3-dihydro-1H-inden-1-yl)-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

SMILES: COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CC(=O)NC4CCC5=CC=CC=C45)OC)O)OC

Molecular Processing

Molecular formula

C30H34N2O5

Molecular weight

502.61

Exact mass

502.2468

XLogP

4.36

TPSA

80.26

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

0.367

Molar refractivity

141.57

Supplementary Information

InChIKey: BZHHHCHIUFWNRT-UHFFFAOYSA-N

Синонимы

SCHEMBL6786999BZHHHCHIUFWNRT-UHFFFAOYSA-N2-[1-(3,4-dimethoxy-benzyl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(indan-1-yl)-acetamide