methyl 5-cyano-4-(4-methoxyphenyl)-2-oxo-6-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-4-(4-methoxyphenyl)-2-oxo-6-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-4-(4-methoxyphenyl)-2-oxo-6-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5542-0148 |
| Compound Name: | methyl 5-cyano-4-(4-methoxyphenyl)-2-oxo-6-({2-oxo-2-[2-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 519.5 |
| Molecular Formula: | C24 H20 F3 N3 O5 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC(Nc1ccccc1C(F)(F)F)=O)c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3058 |
| logD: | 3.1746 |
| logSw: | -3.8448 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.142 |
| InChI Key: | YIAUGJRCHJIRBQ-UHFFFAOYSA-N |