methyl 4-(2-chlorophenyl)-5-cyano-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 4-(2-chlorophenyl)-5-cyano-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 4-(2-chlorophenyl)-5-cyano-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 2293-3036 |
| Compound Name: | methyl 4-(2-chlorophenyl)-5-cyano-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 336.79 |
| Molecular Formula: | C15 H13 Cl N2 O3 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SC)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.506 |
| logD: | 2.2749 |
| logSw: | -3.2378 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.418 |
| InChI Key: | YYCISVCMSOBXJI-UHFFFAOYSA-N |