N-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V012-6427 |
| Compound Name: | N-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C23 H28 N4 O4 |
| Smiles: | CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCCc1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4107 |
| logD: | 0.5372 |
| logSw: | -3.0026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.2 |
| InChI Key: | KEHPNJAKNCIWBR-UHFFFAOYSA-N |