ethyl 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
ethyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
ethyl 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: | 4296-0736 |
| Compound Name: | ethyl 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: | 518.42 |
| Molecular Formula: | C24 H21 Cl2 N3 O4 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC1=O)SCC(Nc1cccc(c1C)[Cl])=O)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6032 |
| logD: | 4.509 |
| logSw: | -4.5009 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.178 |
| InChI Key: | OSIXUYLSAPKILW-UHFFFAOYSA-N |