4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4023-0767 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 546.55 |
| Molecular Formula: | C31 H25 F3 N2 O4 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccccc2)N1)c1ccc2c(c1)OCO2)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6366 |
| logD: | 4.5024 |
| logSw: | -5.8122 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.856 |
| InChI Key: | JFCLPWQIYVKUMZ-UHFFFAOYSA-N |