4,5-dimethoxy-2-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Chemical Structure Depiction of
4,5-dimethoxy-2-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
4,5-dimethoxy-2-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 2372-3516 |
| Compound Name: | 4,5-dimethoxy-2-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid |
| Molecular Weight: | 464.39 |
| Molecular Formula: | C23 H16 N2 O9 |
| Smiles: | COc1cc(C(O)=O)c(cc1OC)N1C(c2ccc(cc2C1=O)Oc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0917 |
| logD: | -0.4759 |
| logSw: | -4.3325 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.377 |
| InChI Key: | JQYDQNIHQGOLOM-UHFFFAOYSA-N |