methyl 5-cyano-4-(2-fluorophenyl)-6-{[2-(4-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-(4-methylanilino)-2-oxoethyl]sulfanyl}-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-4-(2-fluorophenyl)-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4552-5428 |
| Compound Name: | methyl 5-cyano-4-(2-fluorophenyl)-6-{[2-(4-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: | Cc1ccc(cc1)NC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3725 |
| logD: | 3.2783 |
| logSw: | -3.7058 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.296 |
| InChI Key: | DQPMYTFANFBKHK-UHFFFAOYSA-N |