4-[2-(4-bromo-2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Chemical Structure Depiction of
4-[2-(4-bromo-2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
4-[2-(4-bromo-2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Compound characteristics
| Compound ID: | 2922-2899 |
| Compound Name: | 4-[2-(4-bromo-2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid |
| Molecular Weight: | 500.32 |
| Molecular Formula: | C22 H14 Br N O6 S |
| Smiles: | Cc1cc(ccc1N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.1772 |
| logD: | 2.1193 |
| logSw: | -4.787 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.488 |
| InChI Key: | XAULSASEAXVFOW-UHFFFAOYSA-N |