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896835-40-8

896835-40-8 structural image
Product Name: 2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
Formula: C23H22N4OS2
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COMPUTED DESCRIPTORS

Molecular Weight 434.6 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 8
Exact Mass 434.12350369 g/mol
Monoisotopic Mass 434.12350369 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 545
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