N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(isoquinolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(isoquinolin-1-yl)sulfanyl]acetamide
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(isoquinolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8019-8934 |
| Compound Name: | N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(isoquinolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 555.65 |
| Molecular Formula: | C31 H29 N3 O5 S |
| Smiles: | COc1cc(Cc2c3cc(c(cc3ccn2)OC)OC)c(cc1OC)NC(CSc1c2ccccc2ccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5263 |
| logD: | 4.5179 |
| logSw: | -4.2612 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.618 |
| InChI Key: | VDJZOSDCZNDLHN-UHFFFAOYSA-N |