519056-55-4
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 |