AC1LJF3X
1-[1-(2,5-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: CBKinase1_008205|CBKinase1_020605|F3285-1135|BRD-K51428833-001-01-7|1-[1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethan-1-one|2-((1H-1,2,4-triazol-3-yl)thio)-1-(1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone|1-[1-(2,5-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone|1-[1-(2,5-difluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(1H-1,2,4-triazol-3-ylthio)-1-ethanone
| Molecular Formula | C16H14F2N4OS |
|---|---|
| Molecular Weight | 348.08563 g/mol |
| LogP | 3.46544 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.08563 |
| Monoisotopic Mass | 348.08563 |
| Heavy Atoms | 24 |
| Complexity | 889.872 |
Chemical Identifiers
| CAS Number | 690646-76-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=CC(=C2)F)F)C)C(=O)CSC3=NC=NN3 |
Product Overview
AC1LJF3X (CAS 690646-76-5), with molecular formula C16H14F2N4OS and molecular weight 348.08563 g/mol. IUPAC: 1-[1-(2,5-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.