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]-1,4,5,6-tetrahydrocyclopenta[c]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]-1,4,5,6-tetrahydrocyclopenta[c]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]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
Compound characteristics
| Compound ID: | K089-0139 |
| 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]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide |
| Molecular Weight: | 500.6 |
| Molecular Formula: | C28 H32 N6 O3 |
| Smiles: | CCOc1ccc(/C=N/NC(c2c3CCCc3[nH]n2)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.446 |
| logD: | 3.0351 |
| logSw: | -3.5891 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.515 |
| InChI Key: | OTJRJHOTGOTPSG-UHFFFAOYSA-N |