2-bromo-N-{5-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)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: | K781-1277 |
| Compound Name: | 2-bromo-N-{5-[(4-ethoxyphenyl)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: | 657.56 |
| Molecular Formula: | C34 H33 Br N4 O5 |
| Smiles: | CCOc1ccc(cc1)NC(c1ccc(c(c1)NC(c1cc(ccc1[Br])OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2316 |
| logD: | 5.4873 |
| logSw: | -5.499 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.241 |
| InChI Key: | GIDHMGWFEZPHLX-UHFFFAOYSA-N |