ethyl N-{1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-3-carbonyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-3-carbonyl}-beta-alaninate
ethyl N-{1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-3-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | L895-0327 |
| Compound Name: | ethyl N-{1-[3-(phenylsulfanyl)pyrazin-2-yl]piperidine-3-carbonyl}-beta-alaninate |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCOC(CCNC(C1CCCN(C1)c1c(nccn1)Sc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5955 |
| logD: | 2.5955 |
| logSw: | -2.8496 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.198 |
| InChI Key: | CQTWACHWUKOSRD-INIZCTEOSA-N |