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96514-07-7

96514-07-7 structural image
Product Name: 4-CHLORO-3-[2-(1-BENZYL-3,5-DIOXO-2-PHENYL-1,2,4-TRIAZOLIDIN-4-YL)-4,4-DIMETHYL-3-OXOVALERYAMINO]BENZOIC ACID 1-(DODECYLOXYCARBONYL)PENTYL ESTER
Formula: C47H61ClN4O8
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COMPUTED DESCRIPTORS

Molecular Weight 845.5 g/mol
XLogP3 13.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 27
Exact Mass 844.4177926 g/mol
Monoisotopic Mass 844.4177926 g/mol
Topological Polar Surface Area 143 Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1390
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes