ethyl N-[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]-beta-alaninate
ethyl N-[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | J007-1232 |
| Compound Name: | ethyl N-[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]-beta-alaninate |
| Molecular Weight: | 338.47 |
| Molecular Formula: | C17 H26 N2 O3 S |
| Smiles: | CCOC(CCNC(N1CCCCCC1c1ccc(C)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7182 |
| logD: | 3.7182 |
| logSw: | -3.6599 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.073 |
| InChI Key: | ITEUZJLBGYSELE-AWEZNQCLSA-N |