N-[(3-fluorophenyl)methyl]-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(3-fluorophenyl)methyl]-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(3-fluorophenyl)methyl]-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-4629 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C26 H25 F N4 O3 |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)[N+]([O-])=O)c1ccccc1)C(NCc1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2762 |
| logD: | 4.2758 |
| logSw: | -4.2766 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.598 |
| InChI Key: | DXYSIAWVDLXTSJ-UHFFFAOYSA-N |