N-(2-methylpropyl)-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-(2-methylpropyl)-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-4598 |
| Compound Name: | N-(2-methylpropyl)-8-nitro-3-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CNC(C1Cc2cc(ccc2N2CCN(CC12)c1ccccc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0225 |
| logD: | 4.0222 |
| logSw: | -4.0868 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.87 |
| InChI Key: | NAPXIGWMYQTPTI-UHFFFAOYSA-N |