butyl {[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
butyl {[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
butyl {[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4552-4324 |
| Compound Name: | butyl {[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C19 H22 N2 O3 S |
| Smiles: | CCCCOC(CSC1=C(C#N)C(CC(N1)=O)c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4897 |
| logD: | 3.4342 |
| logSw: | -3.6338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.64 |
| InChI Key: | BXYMMSPPJIWQHT-OAHLLOKOSA-N |