benzyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8011-5495 |
| Compound Name: | benzyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 441.45 |
| Molecular Formula: | C25 H22 F3 N O3 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1656 |
| logD: | 1.5273 |
| logSw: | -5.2703 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.779 |
| InChI Key: | AEKKKQZGFKZCDI-QFIPXVFZSA-N |