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]-2-(4-fluorophenyl)acetohydrazide
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]-2-(4-fluorophenyl)acetohydrazide
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]-2-(4-fluorophenyl)acetohydrazide
Compound characteristics
| Compound ID: | K087-0509 |
| 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]-2-(4-fluorophenyl)acetohydrazide |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C29 H31 F N4 O3 |
| Smiles: | CCOc1ccc(/C=N/NC(Cc2ccc(cc2)F)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1197 |
| logD: | 3.7088 |
| logSw: | -4.2037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.982 |
| InChI Key: | KYFZRBXNPNQIFW-UHFFFAOYSA-N |