N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-4-nitrobenzamide
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | 8011-2587 |
| Compound Name: | N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-4-nitrobenzamide |
| Molecular Weight: | 503.51 |
| Molecular Formula: | C27 H25 N3 O7 |
| Smiles: | COc1cc(Cc2c3cc(c(cc3ccn2)OC)OC)c(cc1OC)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9981 |
| logD: | 3.9888 |
| logSw: | -4.1323 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.305 |
| InChI Key: | KPAZWRDOQPLQOY-UHFFFAOYSA-N |