methyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0532 |
| Compound Name: | methyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 456.95 |
| Molecular Formula: | C23 H21 Cl N2 O4 S |
| Smiles: | CCOc1ccc(cc1)C1C(C(NC(=C1C#N)SCc1ccc(cc1)[Cl])=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.096 |
| logD: | 4.0129 |
| logSw: | -4.7416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.27 |
| InChI Key: | ZGGQNSGYMAMCAE-UHFFFAOYSA-N |