3-(2-cyanophenyl)-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-(2-cyanophenyl)-N-(4-fluorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-cyanophenyl)-N-(4-fluorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-7801 |
| Compound Name: | 3-(2-cyanophenyl)-N-(4-fluorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 471.49 |
| Molecular Formula: | C26 H22 F N5 O3 |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)[N+]([O-])=O)c1ccccc1C#N)C(Nc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.23 |
| logD: | 4.2263 |
| logSw: | -4.1855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.032 |
| InChI Key: | CQOQPBPJBLOIIW-UHFFFAOYSA-N |