3-tert-butyl-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]-1H-pyrazole-5-carbohydrazide
Chemical Structure Depiction of
3-tert-butyl-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]-1H-pyrazole-5-carbohydrazide
3-tert-butyl-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]-1H-pyrazole-5-carbohydrazide
Compound characteristics
| Compound ID: | K089-0135 |
| Compound Name: | 3-tert-butyl-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]-1H-pyrazole-5-carbohydrazide |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C29 H36 N6 O3 |
| Smiles: | CCOc1ccc(/C=N/NC(c2cc(C(C)(C)C)n[nH]2)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6431 |
| logD: | 4.2322 |
| logSw: | -4.3767 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.957 |
| InChI Key: | ZDCBRPLVRIMSFF-UHFFFAOYSA-N |