3-(4-methylphenyl)-8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(4-methylphenyl)-8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(4-methylphenyl)-8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-4588 |
| Compound Name: | 3-(4-methylphenyl)-8-nitro-N-(1-phenylethyl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C28 H30 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(c1ccccc1)NC(C1Cc2cc(ccc2N2CCN(CC12)c1ccc(C)cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1696 |
| logD: | 5.1675 |
| logSw: | -4.9 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.761 |
| InChI Key: | JGYPXAFGRIVQNG-UHFFFAOYSA-N |