N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | J007-0362 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide |
| Molecular Weight: | 402.92 |
| Molecular Formula: | C22 H27 Cl N2 O3 |
| Smiles: | Cc1cccc(c1)C1CCCCCN1C(Nc1cc(c(cc1OC)OC)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7196 |
| logD: | 5.7195 |
| logSw: | -5.9494 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.024 |
| InChI Key: | XBTCMTFGTJUXTF-IBGZPJMESA-N |