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685108-22-9

685108-22-9 structural image
Product Name: 2,3-DIMETHOXY-11-[4-(TRIFLUOROMETHYL)PHENYL]-5,11,12,12A-TETRAHYDROPYRAZOLO[3',4':4,5]PYRIDO[2,1-A]ISOQUINOLIN-8(6H)-ONE
Formula: C23H20F3N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 443.4 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 443.14567599 g/mol
Monoisotopic Mass 443.14567599 g/mol
Topological Polar Surface Area 56.6 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 700
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