methyl 5-cyano-4-(2-fluorophenyl)-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-4-(2-fluorophenyl)-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-4-(2-fluorophenyl)-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0638 |
| Compound Name: | methyl 5-cyano-4-(2-fluorophenyl)-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C23 H20 F N3 O4 S |
| Smiles: | Cc1ccccc1NC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7439 |
| logD: | 2.6497 |
| logSw: | -3.1457 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.598 |
| InChI Key: | BFXJLXXNBJEXTG-UHFFFAOYSA-N |