3-[(4-fluorophenyl)methyl]-8-nitro-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-[(4-fluorophenyl)methyl]-8-nitro-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-fluorophenyl)methyl]-8-nitro-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V014-8824 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-8-nitro-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C26 H26 F N5 O3 |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)[N+]([O-])=O)Cc1ccc(cc1)F)C(NCc1cccnc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5652 |
| logD: | 1.9588 |
| logSw: | -2.6014 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.396 |
| InChI Key: | OWJGVZALYRKXGJ-UHFFFAOYSA-N |