ethyl N-[2-(4-chlorophenyl)azepane-1-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[2-(4-chlorophenyl)azepane-1-carbonyl]-beta-alaninate
ethyl N-[2-(4-chlorophenyl)azepane-1-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | J007-1228 |
| Compound Name: | ethyl N-[2-(4-chlorophenyl)azepane-1-carbonyl]-beta-alaninate |
| Molecular Weight: | 352.86 |
| Molecular Formula: | C18 H25 Cl N2 O3 |
| Smiles: | CCOC(CCNC(N1CCCCCC1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9573 |
| logD: | 3.9573 |
| logSw: | -4.5439 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.055 |
| InChI Key: | JVSOKSNTUABTAS-INIZCTEOSA-N |