HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(1-benzofuran-2-ylcarbonyl)-1-benzyl-5-[4-(benzyloxy)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
4-(1-benzofuran-2-ylcarbonyl)-1-benzyl-5-[4-(benzyloxy)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one · 2H-Pyrrol-2-one, 4-(2-benzofuranylcarbonyl)-1,5-dihydro-3-hydroxy-5-[4-(phenylmethoxy)phenyl]-1-(phenylmethyl)-
![4-(1-benzofuran-2-ylcarbonyl)-1-benzyl-5-[4-(benzyloxy)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one molecular structure](/img/chemical/178819838.png)
Identifiers & Physical Properties
| CAS No. | 618866-92-5 |
|---|---|
| Molecular formula | C33H25NO5 |
| Average molar mass | 515.6 g/mol |
| SMILES | O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccc(OCc2ccccc2)cc1)c1cc2ccccc2o1 |
| InChIKey | OVMYEZKEGRYSKD-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 6.7 |
|---|---|
| Topological polar surface area | 80 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 8 |
| Heavy atoms | 39 |
| Formal charge | 0 |
| Complexity | 896 |
| Boiling point | 737.4±60.0 °C(Predicted) |
| Density | 1.343±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.50±1.00(Predicted) |