methyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
Compound ID: | 4552-4228 |
Compound Name: | methyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
Molecular Weight: | 426.92 |
Molecular Formula: | C22 H19 Cl N2 O3 S |
Smiles: | Cc1ccc(cc1)C1C(C(NC(=C1C#N)SCc1ccc(cc1)[Cl])=O)C(=O)OC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.1504 |
logD: | 4.0673 |
logSw: | -4.7606 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.146 |
InChI Key: | YXWGQTBBURMWKU-UHFFFAOYSA-N |