3-(2-cyanophenyl)-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-(2-cyanophenyl)-N-[(2-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-cyanophenyl)-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: | V001-9285 |
| Compound Name: | 3-(2-cyanophenyl)-N-[(2-fluorophenyl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 508.52 |
| Molecular Formula: | C28 H24 F4 N4 O |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)C(F)(F)F)c1ccccc1C#N)C(NCc1ccccc1F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1066 |
| logD: | 5.1066 |
| logSw: | -5.1261 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.972 |
| InChI Key: | AXGCVEUSQBPFGN-UHFFFAOYSA-N |