N-(2-methoxy-4-nitrophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-4-nitrophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
N-(2-methoxy-4-nitrophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | J007-0739 |
| Compound Name: | N-(2-methoxy-4-nitrophenyl)-2-(4-methylphenyl)azepane-1-carboxamide |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C21 H25 N3 O4 |
| Smiles: | Cc1ccc(cc1)C1CCCCCN1C(Nc1ccc(cc1OC)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1201 |
| logD: | 5.1196 |
| logSw: | -4.9368 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.775 |
| InChI Key: | URHNXYQMTPFVFE-IBGZPJMESA-N |