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1022234-53-2

1022234-53-2 structural image
Product Name: 1-((4-(TERT-BUTYL)PHENYL)SULFONYL)-4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))-1,4-DIAZAPERHYDROEPINE
Formula: C21H25ClF3N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 476.0 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 475.1308104 g/mol
Monoisotopic Mass 475.1308104 g/mol
Topological Polar Surface Area 61.9 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 700
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