4-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoic acid
4-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 3226-1302 |
| Compound Name: | 4-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoic acid |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C20 H18 N2 O5 |
| Smiles: | CC(C)(C)N1C(c2ccc(cc2C1=O)C(Nc1ccc(cc1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.225 |
| logD: | 0.8298 |
| logSw: | -3.4715 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.346 |
| InChI Key: | REEXYWAJQLPGFJ-UHFFFAOYSA-N |