propyl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
propyl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
propyl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2699-0190 |
| Compound Name: | propyl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Smiles: | CCCOC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9368 |
| logD: | 2.8813 |
| logSw: | -3.2355 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.64 |
| InChI Key: | SRGRIAWHGUWYIQ-CQSZACIVSA-N |