methyl {[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4296-0013 |
| Compound Name: | methyl {[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C15 H14 N2 O4 S |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(cc1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9035 |
| logD: | 0.848 |
| logSw: | -2.0444 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.383 |
| InChI Key: | FWYHNPLLDBSAAT-LLVKDONJSA-N |