N-(2H-1,3-benzodioxol-5-yl)-2-(4-methylphenyl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(4-methylphenyl)azepane-1-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-2-(4-methylphenyl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | J007-1027 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(4-methylphenyl)azepane-1-carboxamide |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C21 H24 N2 O3 |
| Smiles: | Cc1ccc(cc1)C1CCCCCN1C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7417 |
| logD: | 4.7417 |
| logSw: | -4.4221 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.576 |
| InChI Key: | BDPCPQACHSGHOP-SFHVURJKSA-N |