methyl 5-cyano-4-(2-methylphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-4-(2-methylphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-4-(2-methylphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3331-4044 |
| Compound Name: | methyl 5-cyano-4-(2-methylphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C16 H16 N2 O3 S |
| Smiles: | Cc1ccccc1C1C(C(NC(=C1C#N)SC)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3596 |
| logD: | 2.0536 |
| logSw: | -2.7652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.418 |
| InChI Key: | MPJDCAKJXNMMEA-UHFFFAOYSA-N |