N-(2-methyl-3-nitrophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
N-(2-methyl-3-nitrophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | J007-0721 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-2-(4-methylphenyl)azepane-1-carboxamide |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C21 H25 N3 O3 |
| Smiles: | Cc1ccc(cc1)C1CCCCCN1C(Nc1cccc(c1C)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2421 |
| logD: | 5.2421 |
| logSw: | -5.0156 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.844 |
| InChI Key: | QZPQRXSKRDFEHO-FQEVSTJZSA-N |