HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[4-(Benzyloxy)phenyl]-2-oxoethyl [(phenylsulfonyl)amino]acetate
2-[4-(benzyloxy)phenyl]-2-oxoethyl [(phenylsulfonyl)amino]acetate · Glycine, N-(phenylsulfonyl)-, 2-oxo-2-[4-(phenylmethoxy)phenyl]ethyl ester
![2-[4-(Benzyloxy)phenyl]-2-oxoethyl [(phenylsulfonyl)amino]acetate molecular structure](/img/chemical/178819823.png)
Identifiers & Physical Properties
| CAS No. | 335390-66-4 |
|---|---|
| Molecular formula | C23H21NO6S |
| Average molar mass | 439.5 g/mol |
| SMILES | O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(OCc2ccccc2)cc1 |
| InChIKey | YCWAJOLDLKOXGZ-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 107 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 11 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 669 |
| Boiling point | 633.3±65.0 °C(Predicted) |
| Density | 1.303±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 8.51±0.40(Predicted) |