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672888-81-2

672888-81-2 structural image
Product Name: N'-[5-chloro-4-(2-chlorophenothiazin-10-yl)-3,6-difluoropyridin-2-yl]propane-1,3-diamine
Formula: C20H16Cl2F2N4S
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COMPUTED DESCRIPTORS

Molecular Weight 453.3 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 452.0440794 g/mol
Monoisotopic Mass 452.0440794 g/mol
Topological Polar Surface Area 79.5 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 551
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