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337920-28-2

337920-28-2 structural image
Product Name: 5-[3-(4-CHLOROPHENYL)-2,1-BENZISOXAZOL-5-YL]-5-METHYL-2-PHENYL-1,2,4-TRIAZOLAN-3-ONE
Formula: C22H17ClN4O2
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COMPUTED DESCRIPTORS

Molecular Weight 404.8 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 404.1040035 g/mol
Monoisotopic Mass 404.1040035 g/mol
Topological Polar Surface Area 70.4 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 608
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