3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V004-7253 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 494.95 |
| Molecular Formula: | C26 H24 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)[N+]([O-])=O)Cc1ccc(cc1)[Cl])C(Nc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9117 |
| logD: | 4.4558 |
| logSw: | -5.1171 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.556 |
| InChI Key: | YZRXQBPJRCVTGB-UHFFFAOYSA-N |