AC1NIQU0
N-(3-chloro-4-fluorophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3-chloro-4-fluorophenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(3-chloro-4-fluoro-phenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide|N-(3-chloro-4-fluorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(3-chloro-4-fluorophenyl)-2-(4-phenyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio) )acetamide|N-(3-chloro-4-fluorophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H14ClFN6OS |
|---|---|
| Molecular Weight | 440.06223 g/mol |
| LogP | 4.2476 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.06223 |
| Monoisotopic Mass | 440.06223 |
| Heavy Atoms | 30 |
| Complexity | 1172.6525 |
Chemical Identifiers
| CAS Number | 896598-01-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)Cl)C4=NC=CN=C4 |
Product Overview
AC1NIQU0 (CAS 896598-01-9), with molecular formula C20H14ClFN6OS and molecular weight 440.06223 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
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