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-methyl-2-(2-oxo-2-phenylethyl)but-2-enehydrazide
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-methyl-2-(2-oxo-2-phenylethyl)but-2-enehydrazide
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-methyl-2-(2-oxo-2-phenylethyl)but-2-enehydrazide
Compound characteristics
| Compound ID: | K087-0532 |
| 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-methyl-2-(2-oxo-2-phenylethyl)but-2-enehydrazide |
| Molecular Weight: | 566.7 |
| Molecular Formula: | C34 H38 N4 O4 |
| Smiles: | CCOc1ccc(/C=N/NC(C(CC(c2ccccc2)=O)=C(C)C)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0565 |
| logD: | 4.6456 |
| logSw: | -4.7007 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.443 |
| InChI Key: | CIFUYGJLOCLUJF-UHFFFAOYSA-N |