N-{5-[(3-acetylphenyl)carbamoyl]-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-[(3-acetylphenyl)carbamoyl]-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-[(3-acetylphenyl)carbamoyl]-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: | K781-1750 |
| Compound Name: | N-{5-[(3-acetylphenyl)carbamoyl]-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: | 655.55 |
| Molecular Formula: | C34 H31 Br N4 O5 |
| Smiles: | CC(c1cccc(c1)NC(c1ccc(c(c1)NC(c1cc(ccc1[Br])OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6035 |
| logD: | 4.8592 |
| logSw: | -5.4422 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.944 |
| InChI Key: | DHJLENRXMHLMTE-UHFFFAOYSA-N |