methyl 6-(benzylsulfanyl)-5-cyano-4-(4-ethylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-(benzylsulfanyl)-5-cyano-4-(4-ethylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-(benzylsulfanyl)-5-cyano-4-(4-ethylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3331-4294 |
| Compound Name: | methyl 6-(benzylsulfanyl)-5-cyano-4-(4-ethylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C23 H22 N2 O3 S |
| Smiles: | CCc1ccc(cc1)C1C(C(NC(=C1C#N)SCc1ccccc1)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0629 |
| logD: | 3.9799 |
| logSw: | -4.0176 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.146 |
| InChI Key: | LQDZWGWJMGCRMI-UHFFFAOYSA-N |