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691858-11-4

691858-11-4 structural image
Product Name: 3-[(3-CYCLOHEPTYL-4-IMINO-6,7-DIMETHOXY-3,4-DIHYDRO-2-QUINAZOLINYL)SULFANYL]-1-PHENYL-1-PROPANONE
Formula: C26H31N3O3S
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COMPUTED DESCRIPTORS

Molecular Weight 465.6 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 465.20861303 g/mol
Monoisotopic Mass 465.20861303 g/mol
Topological Polar Surface Area 100 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 701
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