3-(2-cyanophenyl)-N-[(oxolan-2-yl)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-[(oxolan-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-cyanophenyl)-N-[(oxolan-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V017-1029 |
| Compound Name: | 3-(2-cyanophenyl)-N-[(oxolan-2-yl)methyl]-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 484.52 |
| Molecular Formula: | C26 H27 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | C1CC(CNC(C2Cc3cc(ccc3N3CCN(CC23)c2ccccc2C#N)C(F)(F)F)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.608 |
| logD: | 3.608 |
| logSw: | -3.8107 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.626 |
| InChI Key: | GKHKJXIEIZTIMG-UHFFFAOYSA-N |