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1254944-66-5

1254944-66-5 structural image
Product Name: SR8278
Formula: C18H19NO3S2
Synonyms: 1,2,3,4-Tetrahydro-2-[[5-(methylthio)-2-thienyl]carbonyl]-3-isoquinolinecarboxylic acid ethyl ester
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COMPUTED DESCRIPTORS

Molecular Weight 361.5 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 361.08063582 g/mol
Monoisotopic Mass 361.08063582 g/mol
Topological Polar Surface Area 100 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 473
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