2-chloro-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-5-(methylsulfanyl)benzamide
Chemical Structure Depiction of
2-chloro-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-5-(methylsulfanyl)benzamide
2-chloro-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-5-(methylsulfanyl)benzamide
Compound characteristics
| Compound ID: | 8014-5234 |
| Compound Name: | 2-chloro-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-5-(methylsulfanyl)benzamide |
| Molecular Weight: | 539.05 |
| Molecular Formula: | C28 H27 Cl N2 O5 S |
| Smiles: | COc1cc(Cc2c3cc(c(cc3ccn2)OC)OC)c(cc1OC)NC(c1cc(ccc1[Cl])SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2489 |
| logD: | 5.2392 |
| logSw: | -5.5868 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.924 |
| InChI Key: | HHTCTTWJLQTWMP-UHFFFAOYSA-N |