4-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamido]benzoic acid
Chemical Structure Depiction of
4-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamido]benzoic acid
4-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamido]benzoic acid
Compound characteristics
| Compound ID: | 2372-2691 |
| Compound Name: | 4-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamido]benzoic acid |
| Molecular Weight: | 431.36 |
| Molecular Formula: | C22 H13 N3 O7 |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4812 |
| logD: | 1.086 |
| logSw: | -3.878 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.761 |
| InChI Key: | UYMYHEYFVDFECY-UHFFFAOYSA-N |