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312267-24-6

312267-24-6 structural image
Product Name: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula: C26H23FN4OS
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COMPUTED DESCRIPTORS

Molecular Weight 458.6 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 2
Exact Mass 458.15766071 g/mol
Monoisotopic Mass 458.15766071 g/mol
Topological Polar Surface Area 122 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 979
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