ethyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
ethyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4296-0047 |
| Compound Name: | ethyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C18 H20 N2 O5 S |
| Smiles: | CCOC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(c(c1)OCC)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9156 |
| logD: | 1.8601 |
| logSw: | -2.668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.104 |
| InChI Key: | ISYKQYVFFVLHBQ-GFCCVEGCSA-N |