propan-2-yl {[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
propan-2-yl {[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
propan-2-yl {[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2188-1789 |
| Compound Name: | propan-2-yl {[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C19 H22 N2 O4 S |
| Smiles: | CCOc1ccc(cc1)C1CC(NC(=C1C#N)SCC(=O)OC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.761 |
| logD: | 2.7056 |
| logSw: | -3.1855 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.148 |
| InChI Key: | YAQUWGJPKLPVID-OAHLLOKOSA-N |