2-chloro-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
2-chloro-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
2-chloro-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: | K089-0111 |
| Compound Name: | 2-chloro-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: | 505.02 |
| Molecular Formula: | C28 H29 Cl N4 O3 |
| Smiles: | CCOc1ccc(/C=N/NC(c2ccccc2[Cl])=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5806 |
| logD: | 4.1697 |
| logSw: | -4.6769 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.196 |
| InChI Key: | DZAMFKGICDCWCC-UHFFFAOYSA-N |