4-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Chemical Structure Depiction of
4-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
4-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Compound characteristics
| Compound ID: | 8009-0068 |
| Compound Name: | 4-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid |
| Molecular Weight: | 415.42 |
| Molecular Formula: | C20 H17 N O7 S |
| Smiles: | C1CC(CN2C(c3ccc(cc3C2=O)S(c2ccc(cc2)C(O)=O)(=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3539 |
| logD: | -0.7039 |
| logSw: | -2.7288 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.055 |
| InChI Key: | FXSPDOUCUXSMCG-CYBMUJFWSA-N |