methyl 5-cyano-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0317 |
| Compound Name: | methyl 5-cyano-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | Cc1ccc(cc1)C1C(C(NC(=C1C#N)SCC(Nc1ccc(C)cc1)=O)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6545 |
| logD: | 3.5233 |
| logSw: | -3.8151 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.296 |
| InChI Key: | VHACOBVZTNPBBK-UHFFFAOYSA-N |