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}-3,4,5-trimethoxybenzamide
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}-3,4,5-trimethoxybenzamide
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}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | K623-0102 |
| 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}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 698.22 |
| Molecular Formula: | C38 H40 Cl N5 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCN(CC1)c1ccccc1[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3302 |
| logD: | 5.3289 |
| logSw: | -5.9283 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.068 |
| InChI Key: | MVSCPKATJDQYTN-UHFFFAOYSA-N |