4,4'-{tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonyl]}dibenzoic acid
Chemical Structure Depiction of
4,4'-{tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonyl]}dibenzoic acid
4,4'-{tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonyl]}dibenzoic acid
Compound characteristics
| Compound ID: | 8002-7457 |
| Compound Name: | 4,4'-{tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonyl]}dibenzoic acid |
| Molecular Weight: | 722.71 |
| Molecular Formula: | C42 H30 N2 O10 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(c2ccc(cc2C1=O)C(c1ccc(cc1)C(O)=O)=O)=O)N1C(c2ccc(cc2C1=O)C(c1ccc(cc1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2713 |
| logD: | 3.6645 |
| logSw: | -5.9332 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 140.622 |
| InChI Key: | UTRXAFHTATZQAA-UHFFFAOYSA-N |