4-[2,6-bis(4-nitrophenyl)-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(4-nitrophenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid
4-[2,6-bis(4-nitrophenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid
Compound characteristics
| Compound ID: | 8006-9494 |
| Compound Name: | 4-[2,6-bis(4-nitrophenyl)-1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid |
| Molecular Weight: | 606.46 |
| Molecular Formula: | C30 H14 N4 O11 |
| Smiles: | c1cc(ccc1C(O)=O)C(c1c2C(N(C(c2cc2C(N(C(c12)=O)c1ccc(cc1)[N+]([O-])=O)=O)=O)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1368 |
| logD: | -0.4701 |
| logSw: | -3.5412 |
| Hydrogen bond acceptors count: | 21 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 166.16 |
| InChI Key: | OZABTFWOAAAYPB-UHFFFAOYSA-N |