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317820-40-9

317820-40-9 structural image
Product Name: 10-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-5-(4-METHOXYPHENYL)-4-METHYL-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDECANE-9,11-DIONE
Formula: C26H26ClF3N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 551.0 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 6
Exact Mass 550.1594675 g/mol
Monoisotopic Mass 550.1594675 g/mol
Topological Polar Surface Area 84 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 935
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 7
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes