methyl {[3-cyano-4-(2,3-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-4-(2,3-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[3-cyano-4-(2,3-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3331-4203 |
| Compound Name: | methyl {[3-cyano-4-(2,3-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 371.24 |
| Molecular Formula: | C15 H12 Cl2 N2 O3 S |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1cccc(c1[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8398 |
| logD: | 2.801 |
| logSw: | -3.7084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.766 |
| InChI Key: | LCXCGGBYUQAURD-VIFPVBQESA-N |