N-[(3-fluorophenyl)methyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(3-fluorophenyl)methyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(3-fluorophenyl)methyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V014-4814 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C21 H23 F N4 O3 |
| Salt: | not_available |
| Smiles: | CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCc1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4188 |
| logD: | 0.5453 |
| logSw: | -2.8628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.814 |
| InChI Key: | AQSJXCALRPKDMU-UHFFFAOYSA-N |