4-{4-[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]phenoxy}benzoic acid
Chemical Structure Depiction of
4-{4-[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]phenoxy}benzoic acid
4-{4-[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]phenoxy}benzoic acid
Compound characteristics
| Compound ID: | 0584-0379 |
| Compound Name: | 4-{4-[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]phenoxy}benzoic acid |
| Molecular Weight: | 508.44 |
| Molecular Formula: | C28 H16 N2 O8 |
| Smiles: | c1cc(ccc1C(O)=O)Oc1ccc(cc1)C(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7541 |
| logD: | 3.2365 |
| logSw: | -5.7295 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.884 |
| InChI Key: | SXZCQVSMONSWRT-UHFFFAOYSA-N |