4-{2-[2-(4-cyanophenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}benzoic acid
Chemical Structure Depiction of
4-{2-[2-(4-cyanophenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}benzoic acid
4-{2-[2-(4-cyanophenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}benzoic acid
Compound characteristics
| Compound ID: | 1706-0452 |
| Compound Name: | 4-{2-[2-(4-cyanophenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}benzoic acid |
| Molecular Weight: | 488.46 |
| Molecular Formula: | C29 H16 N2 O6 |
| Smiles: | C(c1ccc(cc1)Oc1ccccc1N1C(c2ccc(cc2C1=O)C(c1ccc(cc1)C(O)=O)=O)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 5.2783 |
| logD: | 1.6715 |
| logSw: | -5.3388 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.345 |
| InChI Key: | CZDFFRGIMKQCLC-UHFFFAOYSA-N |