2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4023-0687 |
| Compound Name: | 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 499.49 |
| Molecular Formula: | C26 H24 F3 N3 O4 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(c1)[N+]([O-])=O)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3471 |
| logD: | 3.4042 |
| logSw: | -5.5328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.394 |
| InChI Key: | QLEZFXGCCLVNDH-QFIPXVFZSA-N |