4-bromo-N-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamide
Chemical Structure Depiction of
4-bromo-N-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamide
4-bromo-N-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamide
Compound characteristics
| Compound ID: | 8003-3820 |
| Compound Name: | 4-bromo-N-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamide |
| Molecular Weight: | 485.21 |
| Molecular Formula: | C19 H9 Br N4 O7 |
| Smiles: | c1cc(ccc1C(NN1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.499 |
| logD: | 2.401 |
| logSw: | -3.317 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.018 |
| InChI Key: | BJUVXDNTWTYBSR-UHFFFAOYSA-N |