propan-2-yl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
propan-2-yl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
propan-2-yl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3448-4320 |
| Compound Name: | propan-2-yl {[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: | CC(C)OC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8155 |
| logD: | 2.76 |
| logSw: | -3.2318 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.025 |
| InChI Key: | VKZDXGBBIDJYBF-CQSZACIVSA-N |