ethyl 4-{[2-(2-chlorophenyl)azepane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[2-(2-chlorophenyl)azepane-1-carbonyl]amino}benzoate
ethyl 4-{[2-(2-chlorophenyl)azepane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J007-0441 |
| Compound Name: | ethyl 4-{[2-(2-chlorophenyl)azepane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 400.9 |
| Molecular Formula: | C22 H25 Cl N2 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCCCCC1c1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.697 |
| logD: | 5.697 |
| logSw: | -5.8864 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.215 |
| InChI Key: | JCMADOXGFLXRPD-FQEVSTJZSA-N |