benzyl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
benzyl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8009-8011 |
| Compound Name: | benzyl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C22 H20 N2 O3 S |
| Smiles: | Cc1ccc(cc1)C1CC(NC(=C1C#N)SCC(=O)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8072 |
| logD: | 3.7517 |
| logSw: | -4.0007 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.45 |
| InChI Key: | BTLHRVNHIDZBKO-GOSISDBHSA-N |