N-benzyl-8-nitro-3-(pyrazin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
N-benzyl-8-nitro-3-(pyrazin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
N-benzyl-8-nitro-3-(pyrazin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V003-1015 |
| Compound Name: | N-benzyl-8-nitro-3-(pyrazin-2-yl)-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C24 H24 N6 O3 |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)[N+]([O-])=O)c1cnccn1)C(NCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8364 |
| logD: | 2.8364 |
| logSw: | -3.2317 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.627 |
| InChI Key: | HEVLFXXDBRZFNZ-UHFFFAOYSA-N |