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487033-53-4

487033-53-4 structural image
Product Name: 3,7-bis(allylthio)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine
Formula: C18H18N6S3
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COMPUTED DESCRIPTORS

Molecular Weight 414.6 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 414.07550812 g/mol
Monoisotopic Mass 414.07550812 g/mol
Topological Polar Surface Area 140 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 579
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes