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392295-21-5

392295-21-5 structural image
Product Name: N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
Formula: C21H22N4O2S2
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COMPUTED DESCRIPTORS

Molecular Weight 426.6 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 426.11841830 g/mol
Monoisotopic Mass 426.11841830 g/mol
Topological Polar Surface Area 138 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 579
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