methyl 6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5542-0151 |
| Compound Name: | methyl 6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 499.97 |
| Molecular Formula: | C24 H22 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1803 |
| logD: | 4.0491 |
| logSw: | -4.6 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.839 |
| InChI Key: | QAFFXDJWMFDLRK-UHFFFAOYSA-N |