2-bromo-5-methoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]benzamide
Chemical Structure Depiction of
2-bromo-5-methoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]benzamide
2-bromo-5-methoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]benzamide
Compound characteristics
| Compound ID: | K781-0868 |
| Compound Name: | 2-bromo-5-methoxy-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[4-(trifluoromethoxy)phenyl]carbamoyl}phenyl]benzamide |
| Molecular Weight: | 697.51 |
| Molecular Formula: | C33 H28 Br F3 N4 O5 |
| Smiles: | COc1ccc(c(c1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1ccc(cc1)OC(F)(F)F)=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0538 |
| logD: | 6.3096 |
| logSw: | -5.6316 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.054 |
| InChI Key: | DNHVKUAZFGQXIW-UHFFFAOYSA-N |