N-(4-chlorophenyl)-5-[(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]-1H-imidazole-4-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-5-[(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]-1H-imidazole-4-carboxamide
N-(4-chlorophenyl)-5-[(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]-1H-imidazole-4-carboxamide
Compound characteristics
| Compound ID: | K089-0161 |
| Compound Name: | N-(4-chlorophenyl)-5-[(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]-1H-imidazole-4-carboxamide |
| Molecular Weight: | 614.1 |
| Molecular Formula: | C32 H32 Cl N7 O4 |
| Smiles: | CCOc1ccc(/C=N/NC(c2c(C(Nc3ccc(cc3)[Cl])=O)nc[nH]2)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3953 |
| logD: | 3.9845 |
| logSw: | -4.7127 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.656 |
| InChI Key: | VDJKUAFXBFQZCR-UHFFFAOYSA-N |