4-[2-(2-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Chemical Structure Depiction of
4-[2-(2-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
4-[2-(2-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Compound characteristics
| Compound ID: | 5522-0301 |
| Compound Name: | 4-[2-(2-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid |
| Molecular Weight: | 437.43 |
| Molecular Formula: | C22 H15 N O7 S |
| Smiles: | COc1ccccc1N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5576 |
| logD: | 0.4998 |
| logSw: | -3.9055 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.118 |
| InChI Key: | WHEWHVWWGIJYBD-UHFFFAOYSA-N |