3-({1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoic acid
Chemical Structure Depiction of
3-({1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoic acid
3-({1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 4334-0928 |
| Compound Name: | 3-({1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoic acid |
| Molecular Weight: | 394.38 |
| Molecular Formula: | C21 H18 N2 O6 |
| Smiles: | C1CC(CN2C(c3ccc(cc3C2=O)C(Nc2cccc(c2)C(O)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5926 |
| logD: | -0.2932 |
| logSw: | -3.1417 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.645 |
| InChI Key: | KPXBFDNDBXNEAQ-OAHLLOKOSA-N |