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843628-03-5

843628-03-5 structural image
Product Name: 1-[[(E)-[1-(2-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]-3-phenylthiourea
Formula: C20H19N5O4S
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COMPUTED DESCRIPTORS

Molecular Weight 425.5 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 425.11577528 g/mol
Monoisotopic Mass 425.11577528 g/mol
Topological Polar Surface Area 147 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 720
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes