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107952-08-9

107952-08-9 structural image
Product Name: 2,4-Dihydro-4-(4-ethoxyphenyl)-5-((2-methoxyphenoxy)methyl)-3H-1,2,4-t riazole-3-thione
Formula: C18H19N3O3S
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COMPUTED DESCRIPTORS

Molecular Weight 357.4 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 357.11471265 g/mol
Monoisotopic Mass 357.11471265 g/mol
Topological Polar Surface Area 87.4 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 480
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes