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478259-97-1

478259-97-1 structural image
Product Name: N-(4-BROMO-2-FLUOROPHENYL)-2-([3-(3-PYRIDINYL)-4,5-DIHYDRO-5-ISOXAZOLYL]CARBONYL)-1-HYDRAZINECARBOTHIOAMIDE
Formula: C16H13BrFN5O2S
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COMPUTED DESCRIPTORS

Molecular Weight 438.3 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 436.99574 g/mol
Monoisotopic Mass 436.99574 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 567
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