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519056-55-4

519056-55-4 structural image
Product Name: 4-(5-CYANOPYRIDIN-2-YL)-N-METHYL-1,4-DIAZEPANE-1-CARBOTHIOAMIDE
Formula: C13H17N5S
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COMPUTED DESCRIPTORS

Molecular Weight 275.38 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 275.12046674 g/mol
Monoisotopic Mass 275.12046674 g/mol
Topological Polar Surface Area 87.3 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 363
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