2-bromo-N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-methoxybenzamide
Chemical Structure Depiction of
2-bromo-N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-methoxybenzamide
2-bromo-N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-methoxybenzamide
Compound characteristics
| Compound ID: | K781-1719 |
| Compound Name: | 2-bromo-N-{5-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}-5-methoxybenzamide |
| Molecular Weight: | 708.01 |
| Molecular Formula: | C34 H32 Br Cl N4 O6 |
| Smiles: | COc1ccc(c(c1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1cc(c(cc1OC)OC)[Cl])=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3596 |
| logD: | 5.6154 |
| logSw: | -6.1849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.68 |
| InChI Key: | LLLHCNFYZMNSFV-UHFFFAOYSA-N |