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]-3,4,5-trihydroxybenzohydrazide
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]-3,4,5-trihydroxybenzohydrazide
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]-3,4,5-trihydroxybenzohydrazide
Compound characteristics
| Compound ID: | K089-0098 |
| 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]-3,4,5-trihydroxybenzohydrazide |
| Molecular Weight: | 518.57 |
| Molecular Formula: | C28 H30 N4 O6 |
| Smiles: | CCOc1ccc(/C=N/NC(c2cc(c(c(c2)O)O)O)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1856 |
| logD: | 2.7747 |
| logSw: | -2.9986 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.771 |
| InChI Key: | RXLQVLRGQUYOBB-UHFFFAOYSA-N |