N-(6-bromo-5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(6-bromo-5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-nitrobenzamide
N-(6-bromo-5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8003-3722 |
| Compound Name: | N-(6-bromo-5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-nitrobenzamide |
| Molecular Weight: | 485.21 |
| Molecular Formula: | C19 H9 Br N4 O7 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(NN1C(c2cccc3c(c(cc(C1=O)c23)[N+]([O-])=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.569 |
| logD: | 2.4654 |
| logSw: | -3.4331 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.717 |
| InChI Key: | BKGUIQSVABWQQO-UHFFFAOYSA-N |