4-amino-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]benzohydrazide
Chemical Structure Depiction of
4-amino-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]benzohydrazide
4-amino-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]benzohydrazide
Compound characteristics
| Compound ID: | K089-0108 |
| Compound Name: | 4-amino-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]benzohydrazide |
| Molecular Weight: | 485.59 |
| Molecular Formula: | C28 H31 N5 O3 |
| Smiles: | CCOc1ccc(/C=N/NC(c2ccc(cc2)N)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1792 |
| logD: | 2.7683 |
| logSw: | -3.3055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.002 |
| InChI Key: | YQUDBFNYQHFSMB-UHFFFAOYSA-N |