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721408-72-6

721408-72-6 structural image
Product Name: Benzenesulfonamide, N-(4-chlorophenyl)-3-[4,5-dihydro-5-thioxo-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]-
Formula: C21H14ClF3N4O2S2
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COMPUTED DESCRIPTORS

Molecular Weight 510.9 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 510.0198802 g/mol
Monoisotopic Mass 510.0198802 g/mol
Topological Polar Surface Area 114 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 857
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