5-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl]furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl]furan-2-carboxamide
5-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | K623-0097 |
| Compound Name: | 5-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl]furan-2-carboxamide |
| Molecular Weight: | 641.44 |
| Molecular Formula: | C30 H24 Br F3 N4 O4 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1ccc(o1)[Br])=O)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.423 |
| logD: | 4.6998 |
| logSw: | -6.2858 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.499 |
| InChI Key: | UVUIERSFUBCCMG-UHFFFAOYSA-N |