2-[5-(4-acetylpiperazine-1-carbonyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl]benzonitrile
Chemical Structure Depiction of
2-[5-(4-acetylpiperazine-1-carbonyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl]benzonitrile
2-[5-(4-acetylpiperazine-1-carbonyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl]benzonitrile
Compound characteristics
| Compound ID: | V001-9296 |
| Compound Name: | 2-[5-(4-acetylpiperazine-1-carbonyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl]benzonitrile |
| Molecular Weight: | 511.55 |
| Molecular Formula: | C27 H28 F3 N5 O2 |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(C1Cc2cc(ccc2N2CCN(CC12)c1ccccc1C#N)C(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2313 |
| logD: | 3.2313 |
| logSw: | -3.5758 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.403 |
| InChI Key: | OWTLTXZLANKOKP-UHFFFAOYSA-N |