methyl ({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
methyl ({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 2188-1761 |
| Compound Name: | methyl ({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C22 H20 N2 O4 S |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(cc1)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9376 |
| logD: | 2.8821 |
| logSw: | -3.4846 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.994 |
| InChI Key: | ZLDUTFBPQARUSQ-GOSISDBHSA-N |