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1227626-50-7

1227626-50-7 structural image
Product Name: 1-(4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazol-5-yl)ethanone
Formula: C44H42N6O2
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COMPUTED DESCRIPTORS

Molecular Weight 686.8 g/mol
XLogP3 8.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 12
Exact Mass 686.33692460 g/mol
Monoisotopic Mass 686.33692460 g/mol
Topological Polar Surface Area 98.7 Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 1080
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