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450338-67-7

450338-67-7 structural image
Product Name: 3-bromo-N-(2-(2,3-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)benzamide
Formula: C20H18BrN3O3S
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COMPUTED DESCRIPTORS

Molecular Weight 460.3 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 459.02523 g/mol
Monoisotopic Mass 459.02523 g/mol
Topological Polar Surface Area 89.4 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 697
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