3-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | V014-4868 |
| Compound Name: | 3-(2-methoxyphenyl)-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: | 487.56 |
| Molecular Formula: | C27 H29 N5 O4 |
| Salt: | not_available |
| Smiles: | COc1ccccc1N1CCN2C(C1)C(Cc1cc(ccc12)[N+]([O-])=O)C(NCCc1ccccn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1773 |
| logD: | 3.1724 |
| logSw: | -3.394 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.312 |
| InChI Key: | VDHGUBPBIJXLEZ-UHFFFAOYSA-N |