2-(3-methylphenyl)-N-(2-nitrophenyl)azepane-1-carboxamide
Chemical Structure Depiction of
2-(3-methylphenyl)-N-(2-nitrophenyl)azepane-1-carboxamide
2-(3-methylphenyl)-N-(2-nitrophenyl)azepane-1-carboxamide
Compound characteristics
Compound ID: | J007-0542 |
Compound Name: | 2-(3-methylphenyl)-N-(2-nitrophenyl)azepane-1-carboxamide |
Molecular Weight: | 353.42 |
Molecular Formula: | C20 H23 N3 O3 |
Smiles: | Cc1cccc(c1)C1CCCCCN1C(Nc1ccccc1[N+]([O-])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.1672 |
logD: | 5.167 |
logSw: | -5.0142 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.844 |
InChI Key: | AWWNBYIDYJKCLM-SFHVURJKSA-N |