4,4'-[(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)bis(4,1-phenyleneoxy)]dibenzoic acid
Chemical Structure Depiction of
4,4'-[(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)bis(4,1-phenyleneoxy)]dibenzoic acid
4,4'-[(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)bis(4,1-phenyleneoxy)]dibenzoic acid
Compound characteristics
| Compound ID: | 3952-1394 |
| Compound Name: | 4,4'-[(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)bis(4,1-phenyleneoxy)]dibenzoic acid |
| Molecular Weight: | 640.56 |
| Molecular Formula: | C36 H20 N2 O10 |
| Smiles: | c1cc(ccc1C(O)=O)Oc1ccc(cc1)N1C(c2cc3C(N(C(c3cc2C1=O)=O)c1ccc(cc1)Oc1ccc(cc1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6653 |
| logD: | 4.1477 |
| logSw: | -5.9449 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 127.833 |
| InChI Key: | OYRPNJXVPGWPIZ-UHFFFAOYSA-N |