methyl 6-{[(2-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[(2-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[(2-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4552-4229 |
| Compound Name: | methyl 6-{[(2-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)SCc1ccccc1[Cl])=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.492 |
| logD: | 4.4332 |
| logSw: | -4.5605 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.146 |
| InChI Key: | BRDXJNLHRPKUQC-UHFFFAOYSA-N |