butyl {[4-(3-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
butyl {[4-(3-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
butyl {[4-(3-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3331-4030 |
| Compound Name: | butyl {[4-(3-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 378.88 |
| Molecular Formula: | C18 H19 Cl N2 O3 S |
| Smiles: | CCCCOC(CSC1=C(C#N)C(CC(N1)=O)c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.626 |
| logD: | 3.5705 |
| logSw: | -3.9041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.64 |
| InChI Key: | LLINNVFGSWNVID-AWEZNQCLSA-N |