2-(4-chloro-2-methylphenoxy)-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]propanehydrazide
Chemical Structure Depiction of
2-(4-chloro-2-methylphenoxy)-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]propanehydrazide
2-(4-chloro-2-methylphenoxy)-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]propanehydrazide
Compound characteristics
| Compound ID: | K089-0079 |
| Compound Name: | 2-(4-chloro-2-methylphenoxy)-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]propanehydrazide |
| Molecular Weight: | 563.1 |
| Molecular Formula: | C31 H35 Cl N4 O4 |
| Smiles: | CCOc1ccc(/C=N/NC(C(C)Oc2ccc(cc2C)[Cl])=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1594 |
| logD: | 5.7485 |
| logSw: | -6.252 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.072 |
| InChI Key: | SMURIRCFUPQOFG-UHFFFAOYSA-N |