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439094-02-7

439094-02-7 structural image
Product Name: (4-([4-(TERT-BUTYL)PHENYL]SULFONYL)PIPERAZINO)(4-NITROPHENYL)METHANONE
Formula: C21H25N3O5S
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COMPUTED DESCRIPTORS

Molecular Weight 431.5 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 431.15149208 g/mol
Monoisotopic Mass 431.15149208 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 713
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