methyl {[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4296-0286 |
| Compound Name: | methyl {[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C16 H16 N2 O5 S |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(c(c1)OC)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8057 |
| logD: | 0.7502 |
| logSw: | -2.2092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.945 |
| InChI Key: | CUNHUYZMDJJYRP-SNVBAGLBSA-N |