methyl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0652 |
| Compound Name: | methyl 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 457.45 |
| Molecular Formula: | C22 H17 F2 N3 O4 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC(Nc1ccc(cc1)F)=O)c1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9781 |
| logD: | 2.8839 |
| logSw: | -3.5379 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.296 |
| InChI Key: | KECHZCQOLHDEOO-UHFFFAOYSA-N |