HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one
2-Propen-1-one, 3-[6-(4-bromophenyl)imidazo[2,1-b]thiazol-5-yl]-1-(4-methylphenyl)- · (E)-3-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylphenyl)-2-propen-1-one · (2E)-3-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one
![3-[6-(4-Bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one molecular structure](/img/chemical/178917618.png)
Identifiers & Physical Properties
| CAS No. | 691883-99-5 |
|---|---|
| Molecular formula | C21H15BrN2OS |
| Average molar mass | 423.3 g/mol |
| SMILES | Cc1ccc(C(=O)C=Cc2c(-c3ccc(Br)cc3)nc3sccn23)cc1 |
| InChIKey | DGGZCDSZQOHULA-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 6.4 |
|---|---|
| Topological polar surface area | 62.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 526 |
| Density | 1.433±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 3.998±0.40(predicted) |