methyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4552-4303 |
| Compound Name: | methyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C25 H24 F N3 O4 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4623 |
| logD: | 3.3681 |
| logSw: | -3.8006 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.9 |
| InChI Key: | ACBGMZKULYUMNX-UHFFFAOYSA-N |