HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-chloro-6-fluoro-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide
3-chloro-6-fluoro-N-(2-furylmethyl)-1-benzothiophene-2-carboxamide · Benzo[b]thiophene-2-carboxamide, 3-chloro-6-fluoro-N-(2-furanylmethyl)-
Identifiers & Physical Properties
| CAS No. | 314054-96-1 |
|---|---|
| Molecular formula | C14H9ClFNO2S |
| Average molar mass | 309.7 g/mol |
| SMILES | O=C(NCc1ccco1)c1sc2cc(F)ccc2c1Cl |
| InChIKey | XJABITLESQDJQJ-UHFFFAOYSA-N |
| ChEMBL | CHEMBL1543986 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 70.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 373 |
| Boiling point | 500.3±50.0 °C(Predicted) |
| Density | 1.453±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 11.89±0.46(Predicted) |