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535948-61-9

535948-61-9 structural image
Product Name: 4-CHLORO-3-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C20H21ClN2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 420.9 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 420.0910560 g/mol
Monoisotopic Mass 420.0910560 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 574
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