ethyl ({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
ethyl ({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 3448-4325 |
| Compound Name: | ethyl ({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C23 H22 N2 O4 S |
| Smiles: | CCOC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(cc1)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5287 |
| logD: | 3.4732 |
| logSw: | -3.7118 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.573 |
| InChI Key: | PECTYNWEDBHKMF-LJQANCHMSA-N |