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294197-69-6

294197-69-6 structural image
Product Name: isopropyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Formula: C16H17BrN2O5
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COMPUTED DESCRIPTORS

Molecular Weight 397.22 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 396.03208 g/mol
Monoisotopic Mass 396.03208 g/mol
Topological Polar Surface Area 85.9 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 565
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