2-phenylethyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
2-phenylethyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4562 |
| Compound Name: | 2-phenylethyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C22 H20 F3 N O3 |
| Smiles: | CC1=C(C(CC(N1)=O)c1ccccc1C(F)(F)F)C(=O)OCCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4635 |
| logD: | 3.5235 |
| logSw: | -4.5287 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.215 |
| InChI Key: | ZQKDTNBYEDYQOP-KRWDZBQOSA-N |