methyl {[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2699-0024 |
| Compound Name: | methyl {[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 346.4 |
| Molecular Formula: | C17 H18 N2 O4 S |
| Smiles: | CCOc1ccccc1C1CC(NC(=C1C#N)SCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.138 |
| logD: | 2.0825 |
| logSw: | -2.7383 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.976 |
| InChI Key: | IDWZHYWKDIGOMD-GFCCVEGCSA-N |