4-{1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Chemical Structure Depiction of
4-{1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
4-{1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Compound characteristics
| Compound ID: | 8010-9410 |
| Compound Name: | 4-{1,3-dioxo-2-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid |
| Molecular Weight: | 491.4 |
| Molecular Formula: | C22 H12 F3 N O7 S |
| Smiles: | c1cc(ccc1C(O)=O)S(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)OC(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8935 |
| logD: | 1.8357 |
| logSw: | -4.6274 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.726 |
| InChI Key: | HLWCYSFTMDSOLS-UHFFFAOYSA-N |