ethyl N-{[2-(methylsulfanyl)phenyl]carbamoyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{[2-(methylsulfanyl)phenyl]carbamoyl}-beta-alaninate
ethyl N-{[2-(methylsulfanyl)phenyl]carbamoyl}-beta-alaninate
Compound characteristics
| Compound ID: | Y206-8688 |
| Compound Name: | ethyl N-{[2-(methylsulfanyl)phenyl]carbamoyl}-beta-alaninate |
| Molecular Weight: | 282.36 |
| Molecular Formula: | C13 H18 N2 O3 S |
| Smiles: | CCOC(CCNC(Nc1ccccc1SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8183 |
| logD: | 1.8183 |
| logSw: | -2.3325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.438 |
| InChI Key: | LFVSXUPHHRHOIB-UHFFFAOYSA-N |