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748778-16-7

748778-16-7 structural image
Product Name: 5-(4-ETHYL-PHENOXYMETHYL)-4-(1-PHENYL-ETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Formula: C19H21N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 339.5 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 339.14053348 g/mol
Monoisotopic Mass 339.14053348 g/mol
Topological Polar Surface Area 69 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 454
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes