HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[1-ethyl-4-[(3-fluorophenyl)methylidene]-5-oxoimidazol-2-yl]sulfanyl-N-(2-ethylhexyl)acetamide
2-{[1-ethyl-4-(3-fluorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(2-ethylhexyl)acetamide
![2-[1-ethyl-4-[(3-fluorophenyl)methylidene]-5-oxoimidazol-2-yl]sulfanyl-N-(2-ethylhexyl)acetamide molecular structure](/img/chemical/178694635.png)
Identifiers & Physical Properties
| CAS No. | 724454-18-6 |
|---|---|
| Molecular formula | C22H30FN3O2S |
| Average molar mass | 419.6 g/mol |
| Monoisotopic mass | 419.20427654 g/mol |
| SMILES | CCCCC(CC)CNC(=O)CSC1=NC(=Cc2cccc(F)c2)C(=O)N1CC |
| InChIKey | NTWCGVQYDWUAMU-UHFFFAOYSA-N |
| PubChem CID | 3445121 |
Chemical & Physical Properties
| XLogP | 5.4 |
|---|---|
| Topological polar surface area | 87.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 11 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 623 |
| Density | 1.168±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 14.282±0.46(predicted) |