1-{4-[3-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[3-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V006-1974 |
| Compound Name: | 1-{4-[3-(2-phenylethyl)-8-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 514.59 |
| Molecular Formula: | C28 H33 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(C1Cc2cc(ccc2N2CCN(CCc3ccccc3)CC12)C(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5996 |
| logD: | 2.3085 |
| logSw: | -3.9013 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.906 |
| InChI Key: | KQPCLFDKEKBKET-UHFFFAOYSA-N |