N-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4-nitrobenzamide
N-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 8004-3340 |
| Compound Name: | N-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4-nitrobenzamide |
| Molecular Weight: | 451.31 |
| Molecular Formula: | C19 H9 N5 O9 |
| Smiles: | c1cc(ccc1C(NN1C(c2ccc(c3c(ccc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7363 |
| logD: | 1.7279 |
| logSw: | -2.6341 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 154.798 |
| InChI Key: | OWQHQXWJIFQNMH-UHFFFAOYSA-N |