N-[(3-fluorophenyl)methyl]-8-nitro-3-{2-oxo-2-[(propan-2-yl)amino]ethyl}-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-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(3-fluorophenyl)methyl]-8-nitro-3-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V001-9990 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-8-nitro-3-{2-oxo-2-[(propan-2-yl)amino]ethyl}-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 483.54 |
| Molecular Formula: | C25 H30 F N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)NC(CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCc1cccc(c1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6525 |
| logD: | 2.5884 |
| logSw: | -2.9847 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.596 |
| InChI Key: | XQNGHQRBWAXWQW-UHFFFAOYSA-N |