3,3'-(4,8-dichloro-1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoic acid
Chemical Structure Depiction of
3,3'-(4,8-dichloro-1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoic acid
3,3'-(4,8-dichloro-1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoic acid
Compound characteristics
| Compound ID: | 3289-2354 |
| Compound Name: | 3,3'-(4,8-dichloro-1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoic acid |
| Molecular Weight: | 525.26 |
| Molecular Formula: | C24 H10 Cl2 N2 O8 |
| Smiles: | c1cc(cc(c1)N1C(c2c(C1=O)c(c1C(N(C(c1c2[Cl])=O)c1cccc(c1)C(O)=O)=O)[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9707 |
| logD: | 0.2812 |
| logSw: | -3.4592 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.338 |
| InChI Key: | BACJCHMTOXONNT-UHFFFAOYSA-N |