AC1N6KLA
N-(5-chloro-2-methoxyphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0648-0043|N-(5-chloro-2-methoxyphenyl)-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(5-chloro-2-methoxyphenyl)-2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide|N-(5-chloro-2-methoxyphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H19ClN6O4S |
|---|---|
| Molecular Weight | 498.0877 g/mol |
| LogP | 2.6275 |
| Topological Polar Surface Area | 134.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.0877 |
| Monoisotopic Mass | 498.0877 |
| Heavy Atoms | 34 |
| Complexity | 1405.0831 |
Chemical Identifiers
| CAS Number | 852046-75-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 |
Product Overview
AC1N6KLA (CAS 852046-75-4), with molecular formula C22H19ClN6O4S and molecular weight 498.0877 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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