3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
Chemical Structure Depiction of
3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
Compound characteristics
| Compound ID: | K621-0015 |
| Compound Name: | 3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide |
| Molecular Weight: | 514.46 |
| Molecular Formula: | C25 H21 F3 N4 O5 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0085 |
| logD: | 5.0055 |
| logSw: | -5.0854 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.197 |
| InChI Key: | DGJSUSTWLUFHDZ-UHFFFAOYSA-N |