AC1M3TCJ
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
Also Known As: CBKinase1_009237|CBKinase1_021637|BRD-K14252967-001-01-5|2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide|2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide|2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-fluorophenyl)acetamide|2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-(3-chloro-4-flu orophenyl)acetamide
| Molecular Formula | C22H24ClFN4OS |
|---|---|
| Molecular Weight | 446.13434 g/mol |
| LogP | 5.7858 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.13434 |
| Monoisotopic Mass | 446.13434 |
| Heavy Atoms | 30 |
| Complexity | 1044.2814 |
Chemical Identifiers
| CAS Number | 710985-57-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
AC1M3TCJ (CAS 710985-57-2), with molecular formula C22H24ClFN4OS and molecular weight 446.13434 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide.