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586392-37-2

586392-37-2 structural image
Product Name: 3-[[[[[5-(2,5-DICHLOROPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Formula: C20H14Cl2N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 449.3 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 448.0051335 g/mol
Monoisotopic Mass 448.0051335 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 638
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