N-[(2-fluorophenyl)methyl]-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(2-fluorophenyl)methyl]-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V013-8033 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-8-nitro-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 495.55 |
| Molecular Formula: | C26 H30 F N5 O4 |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCc1ccccc1F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4725 |
| logD: | 1.9134 |
| logSw: | -2.9116 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.637 |
| InChI Key: | WUUPDQGEYFBMLW-UHFFFAOYSA-N |