2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0728-0261 |
| Compound Name: | 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 387.31 |
| Molecular Formula: | C20 H9 N3 O6 |
| Smiles: | c1ccc2C(N(C(c2c1)=O)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5996 |
| logD: | 2.5996 |
| logSw: | -3.3799 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.094 |
| InChI Key: | RMVZEEWTXZOITL-UHFFFAOYSA-N |