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2585648-55-9

2585648-55-9 structural image
Product Name: 6H-2,3a,5,7,11-Pentaazabenzo[4,5]cyclooct[1,2,3-cd]inden-6-one, 3-[[(5-fluoro-2,3-dihydro-4-benzofuranyl)methyl]amino]-7,8-dihydro-7-(1-methylethyl)-10-(trifluoromethyl)-
Formula: C26H22F4N6O2
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COMPUTED DESCRIPTORS

Molecular Weight 526.5 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 526.17403661 g/mol
Monoisotopic Mass 526.17403661 g/mol
Topological Polar Surface Area 84.6 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 879
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