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105219-71-4

105219-71-4 structural image
Product Name: 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4- (2-chlorophenyl)-N-(2-hydroxyethyl)-9-methyl-
Formula: C20H20ClN5O2S
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COMPUTED DESCRIPTORS

Molecular Weight 429.9 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 429.1026238 g/mol
Monoisotopic Mass 429.1026238 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 624
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