N-{5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,5-dimethoxybenzamide
N-{5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | K623-0103 |
| Compound Name: | N-{5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 668.19 |
| Molecular Formula: | C37 H38 Cl N5 O5 |
| Smiles: | COc1cc(cc(c1)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCN(CC1)c1ccccc1[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8148 |
| logD: | 5.8124 |
| logSw: | -5.9787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.177 |
| InChI Key: | VEJZHVJJDMHOKD-UHFFFAOYSA-N |