N-[5-(4-acetylpiperazine-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-acetylpiperazine-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-acetylpiperazine-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: | K623-0169 |
| Compound Name: | N-[5-(4-acetylpiperazine-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: | 599.69 |
| Molecular Formula: | C33 H37 N5 O6 |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(c(c1)NC(c1cc(cc(c1)OC)OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1471 |
| logD: | 3.1447 |
| logSw: | -3.4142 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.414 |
| InChI Key: | DFSYHPDPXDAMAO-UHFFFAOYSA-N |