4-[({2-[3-(acetyloxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)methyl]benzoic acid
Chemical Structure Depiction of
4-[({2-[3-(acetyloxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)methyl]benzoic acid
4-[({2-[3-(acetyloxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2922-1611 |
| Compound Name: | 4-[({2-[3-(acetyloxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)methyl]benzoic acid |
| Molecular Weight: | 458.43 |
| Molecular Formula: | C25 H18 N2 O7 |
| Smiles: | CC(=O)Oc1cccc(c1)N1C(c2ccc(cc2C1=O)C(NCc1ccc(cc1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9068 |
| logD: | -0.0647 |
| logSw: | -3.2923 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.452 |
| InChI Key: | JVQSVFDGPJSDMU-UHFFFAOYSA-N |