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530131-25-0

530131-25-0 structural image
Product Name: 5-BROMO-2-[[[[4-(HEXYLOXY)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula: C21H23BrN2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 479.4 g/mol
XLogP3 6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 9
Exact Mass 478.05619 g/mol
Monoisotopic Mass 478.05619 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 555
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