2-(2-methoxyanilino)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-methoxyanilino)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(2-methoxyanilino)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8004-3384 |
| Compound Name: | 2-(2-methoxyanilino)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 408.33 |
| Molecular Formula: | C19 H12 N4 O7 |
| Smiles: | COc1ccccc1NN1C(c2ccc(c3c(ccc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5731 |
| logD: | -0.3433 |
| logSw: | -3.0825 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.17 |
| InChI Key: | IPNNWKVRJGDQJL-UHFFFAOYSA-N |