N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V014-8121 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C22 H24 N4 O5 |
| Smiles: | CN1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1678 |
| logD: | 0.2943 |
| logSw: | -2.933 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.93 |
| InChI Key: | DRAPSSSCSYYOQO-UHFFFAOYSA-N |