tert-butyl 1-{[4-(methoxycarbonyl)phenyl]methyl}-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
tert-butyl 1-{[4-(methoxycarbonyl)phenyl]methyl}-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
tert-butyl 1-{[4-(methoxycarbonyl)phenyl]methyl}-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | V022-6556 |
| Compound Name: | tert-butyl 1-{[4-(methoxycarbonyl)phenyl]methyl}-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 503.52 |
| Molecular Formula: | C27 H28 F3 N O5 |
| Smiles: | CC1=C(C(CC(N1Cc1ccc(cc1)C(=O)OC)=O)c1ccc(cc1)C(F)(F)F)C(=O)OC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7264 |
| logD: | 5.7264 |
| logSw: | -5.5378 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.885 |
| InChI Key: | KQOHUCADKVGGNH-NRFANRHFSA-N |