methyl 4-({2-[3-(acetyloxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({2-[3-(acetyloxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoate
methyl 4-({2-[3-(acetyloxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | 3448-4832 |
| Compound Name: | methyl 4-({2-[3-(acetyloxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl}amino)benzoate |
| Molecular Weight: | 458.43 |
| Molecular Formula: | C25 H18 N2 O7 |
| Smiles: | CC(=O)Oc1cccc(c1)N1C(c2ccc(cc2C1=O)C(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4834 |
| logD: | 3.4477 |
| logSw: | -3.8535 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.896 |
| InChI Key: | YPRQJDUHYQVPCI-UHFFFAOYSA-N |