2-(2,4-dimethylanilino)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(2,4-dimethylanilino)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(2,4-dimethylanilino)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8004-3373 |
| Compound Name: | 2-(2,4-dimethylanilino)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 406.35 |
| Molecular Formula: | C20 H14 N4 O6 |
| Smiles: | Cc1ccc(c(C)c1)NN1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3756 |
| logD: | 0.6696 |
| logSw: | -3.9324 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.142 |
| InChI Key: | IOXJXEWXMILHNL-UHFFFAOYSA-N |