4-[2,6-bis(3-hydroxyphenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid
Chemical Structure Depiction of
4-[2,6-bis(3-hydroxyphenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid
4-[2,6-bis(3-hydroxyphenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid
Compound characteristics
| Compound ID: | 2036-0800 |
| Compound Name: | 4-[2,6-bis(3-hydroxyphenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid |
| Molecular Weight: | 548.47 |
| Molecular Formula: | C30 H16 N2 O9 |
| Smiles: | c1cc(cc(c1)O)N1C(c2cc3C(N(C(c3c(C(c3ccc(cc3)C(O)=O)=O)c2C1=O)=O)c1cccc(c1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6874 |
| logD: | -0.9195 |
| logSw: | -2.8546 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 134.631 |
| InChI Key: | PCRFOVGMSDFVLC-UHFFFAOYSA-N |