4-(azepan-1-yl)-N-[(4-methylphenyl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-(azepan-1-yl)-N-[(4-methylphenyl)methyl]-3-nitrobenzamide
4-(azepan-1-yl)-N-[(4-methylphenyl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-6486 |
| Compound Name: | 4-(azepan-1-yl)-N-[(4-methylphenyl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C21 H25 N3 O3 |
| Smiles: | Cc1ccc(CNC(c2ccc(c(c2)[N+]([O-])=O)N2CCCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3875 |
| logD: | 4.387 |
| logSw: | -4.3217 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.215 |
| InChI Key: | ZCXIYLQGXXFZHC-UHFFFAOYSA-N |