3-methyl-8-nitro-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-methyl-8-nitro-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-methyl-8-nitro-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V014-4826 |
| Compound Name: | 3-methyl-8-nitro-N-(2-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Salt: | not_available |
| Smiles: | CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4283 |
| logD: | 0.5548 |
| logSw: | -2.9906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.656 |
| InChI Key: | QVMXCZXQWQNPHW-UHFFFAOYSA-N |