2-{4-[5-(5-carboxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-benzimidazol-2-yl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
2-{4-[5-(5-carboxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-benzimidazol-2-yl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2-{4-[5-(5-carboxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-benzimidazol-2-yl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | 0429-0001 |
| Compound Name: | 2-{4-[5-(5-carboxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-benzimidazol-2-yl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 572.49 |
| Molecular Formula: | C31 H16 N4 O8 |
| Smiles: | c1cc(ccc1c1nc2cc(ccc2[nH]1)N1C(c2ccc(cc2C1=O)C(O)=O)=O)N1C(c2ccc(cc2C1=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9767 |
| logD: | 0.9991 |
| logSw: | -4.5815 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 133.357 |
| InChI Key: | HTEHEIRADRAUND-UHFFFAOYSA-N |