benzyl {[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
benzyl {[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3331-3722 |
| Compound Name: | benzyl {[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 412.89 |
| Molecular Formula: | C21 H17 Cl N2 O3 S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCC(=O)OCc1ccccc1)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0335 |
| logD: | 3.9947 |
| logSw: | -4.3005 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.45 |
| InChI Key: | IUSVEWUIQPSYOX-INIZCTEOSA-N |