AC1NKDOM
2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
Also Known As: 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromo-2-fluorophenyl)acetamide|2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide|2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromo-2-fluo rophenyl)acetamide|2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-fluorophenyl)acetamide
| Molecular Formula | C19H15BrFN7OS |
|---|---|
| Molecular Weight | 487.0226 g/mol |
| LogP | 3.6814 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.0226 |
| Monoisotopic Mass | 487.0226 |
| Heavy Atoms | 30 |
| Complexity | 1194.8284 |
Chemical Identifiers
| CAS Number | 879477-72-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=C(C=C(C=C4)Br)F |
Product Overview
AC1NKDOM (CAS 879477-72-2), with molecular formula C19H15BrFN7OS and molecular weight 487.0226 g/mol. IUPAC: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide.