butyl {[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
butyl {[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
butyl {[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2188-1929 |
| Compound Name: | butyl {[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 413.32 |
| Molecular Formula: | C18 H18 Cl2 N2 O3 S |
| Smiles: | CCCCOC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4852 |
| logD: | 4.4464 |
| logSw: | -4.4997 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.64 |
| InChI Key: | WQJYYABRUGGTLF-ZDUSSCGKSA-N |