2-(ethylsulfanyl)ethyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
2-(ethylsulfanyl)ethyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1423 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 387.42 |
| Molecular Formula: | C18 H20 F3 N O3 S |
| Smiles: | CCSCCOC(C1C(CC(NC=1C)=O)c1ccccc1C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4783 |
| logD: | 2.5383 |
| logSw: | -3.7642 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.487 |
| InChI Key: | ZUSIYJHTWHLUEE-ZDUSSCGKSA-N |