4-(azepan-1-yl)-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-(azepan-1-yl)-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide
4-(azepan-1-yl)-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-6476 |
| Compound Name: | 4-(azepan-1-yl)-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C21 H25 N3 O4 |
| Smiles: | COc1ccccc1CNC(c1ccc(c(c1)[N+]([O-])=O)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1854 |
| logD: | 4.1849 |
| logSw: | -4.3264 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.845 |
| InChI Key: | OPSGINMBVNFXJK-UHFFFAOYSA-N |