methyl 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8008-2034 |
| Compound Name: | methyl 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 471.48 |
| Molecular Formula: | C25 H24 F3 N3 O3 |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)N2c2cccc(c2)C(F)(F)F)C(=O)OC)c2cccnc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.558 |
| logD: | 3.558 |
| logSw: | -3.5853 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.012 |
| InChI Key: | UXULHXXEXXAALO-IBGZPJMESA-N |