N-(2,4-difluorophenyl)-3-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-3-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-(2,4-difluorophenyl)-3-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V006-1243 |
| Compound Name: | N-(2,4-difluorophenyl)-3-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 515.53 |
| Molecular Formula: | C28 H26 F5 N3 O |
| Salt: | not_available |
| Smiles: | C(CN1CCN2C(C1)C(Cc1cc(ccc12)C(F)(F)F)C(Nc1ccc(cc1F)F)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.839 |
| logD: | 4.6853 |
| logSw: | -5.8106 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.4553 |
| InChI Key: | CHRHPKPBYVNEJL-UHFFFAOYSA-N |