8-nitro-3-phenyl-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Chemical Structure Depiction of
8-nitro-3-phenyl-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
8-nitro-3-phenyl-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V008-4584 |
| Compound Name: | 8-nitro-3-phenyl-N-[(pyridin-3-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C25 H25 N5 O3 |
| Salt: | not_available |
| Smiles: | C1C(C2CN(CCN2c2ccc(cc12)[N+]([O-])=O)c1ccccc1)C(NCc1cccnc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8844 |
| logD: | 2.8819 |
| logSw: | -3.2661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.116 |
| InChI Key: | BOYGYZQPTTYSTJ-UHFFFAOYSA-N |