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851131-46-9

851131-46-9 structural image
Product Name: ethyl 4-(2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate
Formula: C22H23N3O3S
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COMPUTED DESCRIPTORS

Molecular Weight 409.5 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 8
Exact Mass 409.14601278 g/mol
Monoisotopic Mass 409.14601278 g/mol
Topological Polar Surface Area 98.5 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 553
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