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1391194-45-8

1391194-45-8 structural image
Product Name: 5-(2-cyclopropyl-2-oxo-1-phenylethyl)-4,5,6,7-tetrahydrothieno [3,2-c]pyridin-2-yl acetate
Formula: C20H21NO3S
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COMPUTED DESCRIPTORS

Molecular Weight 355.5 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 355.12421471 g/mol
Monoisotopic Mass 355.12421471 g/mol
Topological Polar Surface Area 74.8 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 515
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes