2-(4-methylphenyl)-N-(2-nitrophenyl)azepane-1-carboxamide
Chemical Structure Depiction of
2-(4-methylphenyl)-N-(2-nitrophenyl)azepane-1-carboxamide
2-(4-methylphenyl)-N-(2-nitrophenyl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | J007-0541 |
| Compound Name: | 2-(4-methylphenyl)-N-(2-nitrophenyl)azepane-1-carboxamide |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C20 H23 N3 O3 |
| Smiles: | Cc1ccc(cc1)C1CCCCCN1C(Nc1ccccc1[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.051 |
| logD: | 5.0508 |
| logSw: | -4.5381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.844 |
| InChI Key: | WYPNOPBWCKUEPZ-SFHVURJKSA-N |