methyl 4-(4-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 4-(4-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3331-4124 |
| Compound Name: | methyl 4-(4-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 350.82 |
| Molecular Formula: | C16 H15 Cl N2 O3 S |
| Smiles: | CCSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9635 |
| logD: | 2.8283 |
| logSw: | -3.8296 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.418 |
| InChI Key: | WKEUIGQOEPOIBX-UHFFFAOYSA-N |