3-(2-cyanophenyl)-8-nitro-N-[(oxolan-2-yl)methyl]-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-[(oxolan-2-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
3-(2-cyanophenyl)-8-nitro-N-[(oxolan-2-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide
Compound characteristics
| Compound ID: | V003-0088 |
| Compound Name: | 3-(2-cyanophenyl)-8-nitro-N-[(oxolan-2-yl)methyl]-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxamide |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Salt: | not_available |
| Smiles: | C1CC(CNC(C2Cc3cc(ccc3N3CCN(CC23)c2ccccc2C#N)[N+]([O-])=O)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5528 |
| logD: | 2.5528 |
| logSw: | -3.1352 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.008 |
| InChI Key: | BFTCOOWNXWYSGQ-UHFFFAOYSA-N |