N-(3-methoxyphenyl)-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-(3-methoxyphenyl)-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V003-6866 |
| Compound Name: | N-(3-methoxyphenyl)-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C27 H28 N4 O4 |
| Smiles: | Cc1ccc(cc1)N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(Nc1cccc(c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2475 |
| logD: | 5.2451 |
| logSw: | -4.9849 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.82 |
| InChI Key: | RRQUYKSIZKPSNX-UHFFFAOYSA-N |