N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(pyridin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(pyridin-2-yl)sulfanyl]acetamide
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(pyridin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8018-1038 |
| Compound Name: | N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-[(pyridin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C27 H27 N3 O5 S |
| Smiles: | COc1cc(Cc2c3cc(c(cc3ccn2)OC)OC)c(cc1OC)NC(CSc1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3005 |
| logD: | 3.2921 |
| logSw: | -3.4435 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.119 |
| InChI Key: | LVYVNJMVUYFGES-UHFFFAOYSA-N |