2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0099-0195 |
| Compound Name: | 2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 378.34 |
| Molecular Formula: | C20 H14 N2 O6 |
| Smiles: | COc1ccc(c(c1)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3984 |
| logD: | 3.3984 |
| logSw: | -4.1619 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.196 |
| InChI Key: | YXEBFUJUJUSTSA-UHFFFAOYSA-N |