AC1N6KLA structure

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

CAS: 852046-75-4
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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