AC1LQ4EI
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: CBKinase1_003330|CBKinase1_015730|BAS 01916012|AG-690/40750361|2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide|BRD-K74452339-001-01-9|2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide|N-(3,4-dimethylphenyl)-2-[5-(4-chlorophenyl)-4-ethyl(1,2,4-triazol-3-ylthio)]a cetamide|2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-dimethylphenyl)acetamide
| Molecular Formula | C20H21ClN4OS |
|---|---|
| Molecular Weight | 400.11246 g/mol |
| LogP | 4.96604 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.11246 |
| Monoisotopic Mass | 400.11246 |
| Heavy Atoms | 27 |
| Complexity | 953.1156 |
Chemical Identifiers
| CAS Number | 332934-48-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)Cl |
Product Overview
AC1LQ4EI (CAS 332934-48-2), with molecular formula C20H21ClN4OS and molecular weight 400.11246 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
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