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155104-15-7

155104-15-7 structural image
Product Name: Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)- quinazolinyl)-, 1-ethyl ester
Formula: C21H19BrN2O5S
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COMPUTED DESCRIPTORS

Molecular Weight 491.4 g/mol
XLogP3 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 8
Exact Mass 490.01981 g/mol
Monoisotopic Mass 490.01981 g/mol
Topological Polar Surface Area 122 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 695
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes