ethyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
ethyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0564 |
| Compound Name: | ethyl 6-{[(4-chlorophenyl)methyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 444.91 |
| Molecular Formula: | C22 H18 Cl F N2 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC1=O)SCc1ccc(cc1)[Cl])c1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2738 |
| logD: | 4.2151 |
| logSw: | -4.5829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.726 |
| InChI Key: | XIODGRVNNHNXAB-UHFFFAOYSA-N |