5-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzene-1,3-dicarboxylic acid
5-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 8009-0067 |
| Compound Name: | 5-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C21 H18 N2 O7 |
| Smiles: | CC(C)(C)N1C(c2ccc(cc2C1=O)C(Nc1cc(cc(c1)C(O)=O)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5608 |
| logD: | 0.1974 |
| logSw: | -3.6949 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.754 |
| InChI Key: | RJCVYBUGMBLKFX-UHFFFAOYSA-N |