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849608-59-9

849608-59-9 structural image
Product Name: tetrapotassium 5-{5-amino-4-[(E)-2-(5-{[2-({5-[(E)-2-[5-amino-3-tert-butyl-1-(3,5-dicarboxyphenyl)-1H-pyrazol-4-yl]diazen-1-yl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)diazen-1-yl]-3-tert-butyl-1H-pyrazol-1-yl}benzene-1,3-dicarboxylate
Formula: C36H32K4N14O8S4
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COMPUTED DESCRIPTORS

Molecular Weight 1073.4 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 24
Rotatable Bond Count 13
Exact Mass 1071.9958647 g/mol
Monoisotopic Mass 1071.9958647 g/mol
Topological Polar Surface Area 456 Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 1500
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 5
Compound Is Canonicalized Yes