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849022-32-8

849022-32-8 structural image
Product Name: BI-1230
Formula: C42H52N6O9S
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COMPUTED DESCRIPTORS

Molecular Weight 817.0 g/mol
XLogP3 6.2
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 10
Exact Mass 816.35164843 g/mol
Monoisotopic Mass 816.35164843 g/mol
Topological Polar Surface Area 227 Ų
Heavy Atom Count 58
Formal Charge 0
Complexity 1550
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes