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1401593-28-9

1401593-28-9 structural image
Product Name: N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
Formula: C21H21ClN6O2S
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COMPUTED DESCRIPTORS

Molecular Weight 456.9 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 9
Exact Mass 456.1135228 g/mol
Monoisotopic Mass 456.1135228 g/mol
Topological Polar Surface Area 123 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 582
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