AC1N8UWI
N-(4-bromo-2-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-bromo-2-methylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(4-bromo-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(4-bromo-2-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(4-bromo-2-methylphenyl)-2-[4-(2-furylmethyl)-5-(3-pyridyl)(1,2,4-triazol-3- ylthio)]acetamide
| Molecular Formula | C21H18BrN5O2S |
|---|---|
| Molecular Weight | 483.03647 g/mol |
| LogP | 4.78312 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.03647 |
| Monoisotopic Mass | 483.03647 |
| Heavy Atoms | 30 |
| Complexity | 1145.6853 |
Chemical Identifiers
| CAS Number | 578745-83-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4 |
Product Overview
AC1N8UWI (CAS 578745-83-2), with molecular formula C21H18BrN5O2S and molecular weight 483.03647 g/mol. IUPAC: N-(4-bromo-2-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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