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887351-05-5

887351-05-5 structural image
Product Name: Methanone, (3,5-dimethyl-4-isoxazolyl)[4-[4-(methylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-
Formula: C17H20N4O6S
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COMPUTED DESCRIPTORS

Molecular Weight 408.4 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 3
Exact Mass 408.11035554 g/mol
Monoisotopic Mass 408.11035554 g/mol
Topological Polar Surface Area 138 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