N-{2-[(2E)-2-({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)hydrazinecarbonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{2-[(2E)-2-({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)hydrazinecarbonyl]phenyl}acetamide
N-{2-[(2E)-2-({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)hydrazinecarbonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | K089-0127 |
| Compound Name: | N-{2-[(2E)-2-({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)hydrazinecarbonyl]phenyl}acetamide |
| Molecular Weight: | 527.62 |
| Molecular Formula: | C30 H33 N5 O4 |
| Smiles: | CCOc1ccc(/C=N/NC(c2ccccc2NC(C)=O)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9143 |
| logD: | 2.5034 |
| logSw: | -3.4651 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.76 |
| InChI Key: | LJBFXGVTTMPMAO-UHFFFAOYSA-N |