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461050-53-3

461050-53-3 structural image
Product Name: N-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]butanamide
Formula: C20H21N3OS2
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COMPUTED DESCRIPTORS

Molecular Weight 383.5 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 383.11260465 g/mol
Monoisotopic Mass 383.11260465 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 492
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