3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(trifluoromethyl)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-[3-(trifluoromethyl)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-[3-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K621-0009 |
| 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-[3-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 498.46 |
| Molecular Formula: | C25 H21 F3 N4 O4 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1[N+]([O-])=O)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8605 |
| logD: | 4.5915 |
| logSw: | -4.9847 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.261 |
| InChI Key: | LZXOITVCTVUWPG-UHFFFAOYSA-N |