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317833-21-9

317833-21-9 structural image
Product Name: 3A,11C-DIHYDRO-3H-BENZO[5,6]CHROMENO[4,3-C]ISOXAZOL-1(4H)-YL(5-METHYL-3-PHENYL-4-ISOXAZOLYL)METHANONE
Formula: C25H20N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 412.4 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 412.14230712 g/mol
Monoisotopic Mass 412.14230712 g/mol
Topological Polar Surface Area 64.8 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 668
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes