8-nitro-3-(2-phenoxyethyl)-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
8-nitro-3-(2-phenoxyethyl)-N-[2-(pyridin-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
8-nitro-3-(2-phenoxyethyl)-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: | V002-0836 |
| Compound Name: | 8-nitro-3-(2-phenoxyethyl)-N-[2-(pyridin-2-yl)ethyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 501.59 |
| Molecular Formula: | C28 H31 N5 O4 |
| Salt: | not_available |
| Smiles: | C(CNC(C1Cc2cc(ccc2N2CCN(CCOc3ccccc3)CC12)[N+]([O-])=O)=O)c1ccccn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3065 |
| logD: | 2.6655 |
| logSw: | -3.479 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.659 |
| InChI Key: | GOOATWMDNKSDBC-UHFFFAOYSA-N |