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654655-80-8

654655-80-8 structural image
Product Name: Bedaquiline (Mixture of DiastereoMers)
Formula: C32H31BrN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 555.5 g/mol
XLogP3 7.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 554.15689 g/mol
Monoisotopic Mass 554.15689 g/mol
Topological Polar Surface Area 45.6 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 715
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes