ethyl N-[2-(2-chlorophenyl)azepane-1-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[2-(2-chlorophenyl)azepane-1-carbonyl]-beta-alaninate
ethyl N-[2-(2-chlorophenyl)azepane-1-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | J007-1233 |
| Compound Name: | ethyl N-[2-(2-chlorophenyl)azepane-1-carbonyl]-beta-alaninate |
| Molecular Weight: | 352.86 |
| Molecular Formula: | C18 H25 Cl N2 O3 |
| Smiles: | CCOC(CCNC(N1CCCCCC1c1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9731 |
| logD: | 3.9731 |
| logSw: | -4.1565 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.055 |
| InChI Key: | FHWOYQZIBXGTAY-INIZCTEOSA-N |