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]-2-bromo-5-methoxybenzamide
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]-2-bromo-5-methoxybenzamide
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]-2-bromo-5-methoxybenzamide
Compound characteristics
| Compound ID: | K781-1201 |
| 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]-2-bromo-5-methoxybenzamide |
| Molecular Weight: | 648.56 |
| Molecular Formula: | C32 H34 Br N5 O5 |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(c(c1)NC(c1cc(ccc1[Br])OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5018 |
| logD: | 3.4229 |
| logSw: | -3.7833 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.87 |
| InChI Key: | DDGHXZVDUSVFLN-UHFFFAOYSA-N |