ethyl N-[2-(3-methylphenyl)azepane-1-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[2-(3-methylphenyl)azepane-1-carbonyl]-beta-alaninate
ethyl N-[2-(3-methylphenyl)azepane-1-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | J007-1226 |
| Compound Name: | ethyl N-[2-(3-methylphenyl)azepane-1-carbonyl]-beta-alaninate |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C19 H28 N2 O3 |
| Smiles: | CCOC(CCNC(N1CCCCCC1c1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9022 |
| logD: | 3.9022 |
| logSw: | -3.6577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.055 |
| InChI Key: | OPPHOYFOBFNDOP-KRWDZBQOSA-N |