N-[2-(2-methoxyphenyl)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-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[2-(2-methoxyphenyl)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: | V008-4611 |
| Compound Name: | N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 500.6 |
| Molecular Formula: | C29 H32 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCCc1ccccc1OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1164 |
| logD: | 5.1142 |
| logSw: | -4.8479 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.07 |
| InChI Key: | CNPVJUINVDQXKN-UHFFFAOYSA-N |