methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8011-7380 |
| Compound Name: | methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 490.36 |
| Molecular Formula: | C22 H17 Cl2 N3 O4 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC(Nc1cccc(c1)[Cl])=O)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.156 |
| logD: | 4.0249 |
| logSw: | -4.6854 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.296 |
| InChI Key: | OPHMPPRDDYTLAQ-UHFFFAOYSA-N |