N-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-nitrobenzamide
N-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | 8004-6000 |
| Compound Name: | N-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-nitrobenzamide |
| Molecular Weight: | 451.31 |
| Molecular Formula: | C19 H9 N5 O9 |
| Smiles: | c1ccc(c(c1)C(NN1C(c2ccc(c3c(ccc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3526 |
| logD: | 0.6786 |
| logSw: | -2.4262 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 154.497 |
| InChI Key: | RWVFSCCSCRPZGV-UHFFFAOYSA-N |