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900873-39-4

900873-39-4 structural image
Product Name: methyl 4-(6-(2-hydroxyphenyl)-8-oxo-1,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)benzoate
Formula: C23H20N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 416.4 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 416.14845513 g/mol
Monoisotopic Mass 416.14845513 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 748
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