N-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-4656 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 530.62 |
| Molecular Formula: | C30 H34 N4 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3477 |
| logD: | 4.3455 |
| logSw: | -4.35 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.701 |
| InChI Key: | MEMMZTPMQLHANU-UHFFFAOYSA-N |