(3-methyl-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-methyl-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-methyl-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: | V009-2989 |
| Compound Name: | (3-methyl-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: | 503.52 |
| Molecular Formula: | C25 H28 F3 N5 O3 |
| Smiles: | CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5476 |
| logD: | 1.587 |
| logSw: | -3.8735 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.31 |
| InChI Key: | ARPCYYCBRSQDMB-UHFFFAOYSA-N |