3-(2-cyanophenyl)-8-nitro-N-[2-(pyridin-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
3-(2-cyanophenyl)-8-nitro-N-[2-(pyridin-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-cyanophenyl)-8-nitro-N-[2-(pyridin-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V003-0112 |
| Compound Name: | 3-(2-cyanophenyl)-8-nitro-N-[2-(pyridin-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C27 H26 N6 O3 |
| Salt: | not_available |
| Smiles: | C(CNC(C1Cc2cc(ccc2N2CCN(CC12)c1ccccc1C#N)[N+]([O-])=O)=O)c1ccccn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9426 |
| logD: | 2.9377 |
| logSw: | -3.6344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.738 |
| InChI Key: | HGCYBLFTAYTNQG-UHFFFAOYSA-N |