3-({2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoic acid
Chemical Structure Depiction of
3-({2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoic acid
3-({2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 8010-8884 |
| Compound Name: | 3-({2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoic acid |
| Molecular Weight: | 458.43 |
| Molecular Formula: | C25 H18 N2 O7 |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2ccc(cc2C1=O)C(Nc1cccc(c1)C(O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5424 |
| logD: | 1.6565 |
| logSw: | -4.1641 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.133 |
| InChI Key: | FRXMEEUTPRVZSH-UHFFFAOYSA-N |