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535976-81-9

535976-81-9 structural image
Product Name: 3,5-DICHLORO-2-[[[[4-(1-METHYLETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C18H16Cl2N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 411.3 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 410.0258689 g/mol
Monoisotopic Mass 410.0258689 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 539
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