4-benzoyl-2,6-bis{2-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Chemical Structure Depiction of
4-benzoyl-2,6-bis{2-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
4-benzoyl-2,6-bis{2-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Compound characteristics
| Compound ID: | 8004-8705 |
| Compound Name: | 4-benzoyl-2,6-bis{2-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone |
| Molecular Weight: | 796.66 |
| Molecular Formula: | C45 H20 N2 O13 |
| Smiles: | c1ccc(cc1)C(c1c2C(N(C(c2cc2C(N(C(c12)=O)c1ccccc1Oc1ccc2C(=O)OC(c2c1)=O)=O)=O)c1ccccc1Oc1ccc2C(=O)OC(c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3773 |
| logD: | 4.3773 |
| logSw: | -4.6604 |
| Hydrogen bond acceptors count: | 22 |
| Polar surface area: | 154.304 |
| InChI Key: | IFKAKPQFTZQQGG-UHFFFAOYSA-N |