(3-benzyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(3-benzyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
(3-benzyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V002-3848 |
| Compound Name: | (3-benzyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone |
| Molecular Weight: | 579.62 |
| Molecular Formula: | C31 H32 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)[N+]([O-])=O)Cc1ccccc1)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0568 |
| logD: | 4.044 |
| logSw: | -4.9042 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.374 |
| InChI Key: | FKGHYQUKOALMGY-UHFFFAOYSA-N |