HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-[(Z)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide
4-{[4-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-oxo-2-(2-thienyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-N,N-dimethylbenzenesulfonamide · Benzenesulfonamide, 4-[[2,5-dihydro-4-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-oxo-2-(2-thienyl)-1H-pyrrol-3-yl]carbonyl]-N,N-dimethyl-
![4-[(Z)-hydroxy-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-thiophen-2-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide molecular structure](/img/chemical/6072913.png)
Identifiers & Physical Properties
| CAS No. | 371139-68-3 |
|---|---|
| Molecular formula | C23H27N3O6S2 |
| Average molar mass | 505.6 g/mol |
| Monoisotopic mass | 505.13412794 g/mol |
| SMILES | CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)cc1 |
| InChIKey | YDDYJLIFVMDVNQ-VZCXRCSSSA-N |
| PubChem CID | 6072913 |
| EC No. | 124-866-5 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 144 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 7 |
| Heavy atoms | 34 |
| Formal charge | 0 |
| Complexity | 902 |
| Boiling point | 722.9±70.0 °C(Predicted) |
| Density | 1.400±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.50±1.00(Predicted) |