HuagongsheHuagongshe Chemistry Print Report · For research reference only
4H-1-Benzopyran-2-carboxanilide, 4'-(amidinosulfamoyl)-6-chloro-4-oxo-
N-[4-(Amidinosulfamoyl)phenyl]-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide · 4H-1-Benzopyran-2-carboxamide, N-[4-[[(aminoiminomethyl)amino]sulfonyl]phenyl]-6-chloro-4-oxo-
Identifiers & Physical Properties
| CAS No. | 27455-35-2 |
|---|---|
| Molecular formula | C17H13ClN4O5S |
| Average molar mass | 420.8 g/mol |
| Monoisotopic mass | 420.0295184 g/mol |
| SMILES | NC(N)=NS(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 |
| InChIKey | WMURJEAPJJBHNQ-UHFFFAOYSA-N |
| PubChem CID | 33859 |
| DTXSID | DTXSID70181870 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 162 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 795 |
| Density | 1.65±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 10.92±0.70(Predicted) |