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-trimethoxybenzohydrazide
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-trimethoxybenzohydrazide
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-trimethoxybenzohydrazide
Compound characteristics
| Compound ID: | K087-0523 |
| 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-trimethoxybenzohydrazide |
| Molecular Weight: | 560.65 |
| Molecular Formula: | C31 H36 N4 O6 |
| Smiles: | CCOc1ccc(/C=N/NC(c2cc(c(c(c2)OC)OC)OC)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.053 |
| logD: | 3.6421 |
| logSw: | -4.1124 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.174 |
| InChI Key: | IXPGXBNFLGBILR-UHFFFAOYSA-N |