3,5-dinitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
Chemical Structure Depiction of
3,5-dinitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
3,5-dinitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
Compound characteristics
| Compound ID: | R053-0023 |
| Compound Name: | 3,5-dinitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid |
| Molecular Weight: | 400.35 |
| Molecular Formula: | C18 H16 N4 O7 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5266 |
| logD: | 0.2819 |
| logSw: | -3.9287 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.357 |
| InChI Key: | QQCADPSZEPGUMB-UHFFFAOYSA-N |