N'-[(E)-{4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]phenyl}methylidene]-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
Chemical Structure Depiction of
N'-[(E)-{4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]phenyl}methylidene]-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
N'-[(E)-{4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]phenyl}methylidene]-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
Compound characteristics
| Compound ID: | K087-0530 |
| Compound Name: | N'-[(E)-{4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]phenyl}methylidene]-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide |
| Molecular Weight: | 519.56 |
| Molecular Formula: | C26 H29 N7 O5 |
| Smiles: | CCOc1ccc(/C=N/NC(c2c(cn(C)n2)[N+]([O-])=O)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4982 |
| logD: | 2.0873 |
| logSw: | -2.8334 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.632 |
| InChI Key: | ZHBCDEBRWMTUNI-UHFFFAOYSA-N |