4-[2-(2-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Chemical Structure Depiction of
4-[2-(2-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
4-[2-(2-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Compound characteristics
| Compound ID: | 5826-0315 |
| Compound Name: | 4-[2-(2-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid |
| Molecular Weight: | 451.45 |
| Molecular Formula: | C23 H17 N O7 S |
| Smiles: | CCOc1ccccc1N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0208 |
| logD: | 0.963 |
| logSw: | -4.1616 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.698 |
| InChI Key: | NQUXAHYSQYFITN-UHFFFAOYSA-N |