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851780-64-8

851780-64-8 structural image
Product Name: N-(3-(5-phenyl-1-(thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
Formula: C21H19N3O3S2
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COMPUTED DESCRIPTORS

Molecular Weight 425.5 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 425.08678382 g/mol
Monoisotopic Mass 425.08678382 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 728
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