ethyl N-[2-(thiophen-2-yl)azepane-1-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[2-(thiophen-2-yl)azepane-1-carbonyl]-beta-alaninate
ethyl N-[2-(thiophen-2-yl)azepane-1-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | J007-1230 |
| Compound Name: | ethyl N-[2-(thiophen-2-yl)azepane-1-carbonyl]-beta-alaninate |
| Molecular Weight: | 324.44 |
| Molecular Formula: | C16 H24 N2 O3 S |
| Smiles: | CCOC(CCNC(N1CCCCCC1c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0098 |
| logD: | 3.0098 |
| logSw: | -3.1375 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.073 |
| InChI Key: | OFHQUTQFLLDWAT-ZDUSSCGKSA-N |