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488854-76-8

488854-76-8 structural image
Product Name: (7Z)-7-(thiophen-2-ylmethylidene)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Formula: C19H19N3O4S2
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COMPUTED DESCRIPTORS

Molecular Weight 417.5 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 417.08169844 g/mol
Monoisotopic Mass 417.08169844 g/mol
Topological Polar Surface Area 117 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 645
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