3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V005-0471 |
| Compound Name: | 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 501.5 |
| Molecular Formula: | C27 H24 F5 N3 O |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)C(F)(F)F)c1ccc(cc1)F)C(NCc1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6924 |
| logD: | 5.6923 |
| logSw: | -5.7459 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.2167 |
| InChI Key: | HRBWYXZEMMTWKE-UHFFFAOYSA-N |