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2417371-71-0

2417371-71-0 structural image
Product Name: 7-(3,5-Difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-2-methyl-10-((methylsulfonyl)methyl)-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxamide
Formula: C56H67F2N9O8S2
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COMPUTED DESCRIPTORS

Molecular Weight 1096.3 g/mol
XLogP3 6.8
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 22
Exact Mass 1095.45220880 g/mol
Monoisotopic Mass 1095.45220880 g/mol
Topological Polar Surface Area 264 Ų
Heavy Atom Count 77
Formal Charge 0
Complexity 2210
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes