methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8008-1538 |
| Compound Name: | methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 486.45 |
| Molecular Formula: | C25 H21 F3 N2 O5 |
| Smiles: | COC(C1C(C2=C(CCCC2=O)N(C=1N)c1cccc(c1)C(F)(F)F)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9656 |
| logD: | 3.9656 |
| logSw: | -4.3463 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.61 |
| InChI Key: | IZKZYBQBYPLURR-FQEVSTJZSA-N |