[3-(4-fluorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[3-(4-fluorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
[3-(4-fluorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V028-4674 |
| Compound Name: | [3-(4-fluorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone |
| Molecular Weight: | 583.59 |
| Molecular Formula: | C30 H29 F4 N5 O3 |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)[N+]([O-])=O)c1ccc(cc1)F)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5556 |
| logD: | 5.5555 |
| logSw: | -5.7782 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.094 |
| InChI Key: | IUZYBECGHAFTFX-UHFFFAOYSA-N |