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381717-39-1

381717-39-1 structural image
Product Name: 8,8-dimethyl-4-(octylthio)-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Formula: C22H29N3OS2
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COMPUTED DESCRIPTORS

Molecular Weight 415.6 g/mol
XLogP3 6.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 415.17520490 g/mol
Monoisotopic Mass 415.17520490 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 506
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