methyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0519 |
| Compound Name: | methyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 504.39 |
| Molecular Formula: | C23 H19 Cl2 N3 O4 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1977 |
| logD: | 4.1035 |
| logSw: | -4.3042 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.598 |
| InChI Key: | UDHBEMMWYHNWMS-UHFFFAOYSA-N |