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950237-06-6

950237-06-6 structural image
Product Name: 1-(4-methylphenyl)-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
Formula: C16H17N5OS
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COMPUTED DESCRIPTORS

Molecular Weight 327.4 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 327.11538136 g/mol
Monoisotopic Mass 327.11538136 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 402
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