175202-84-3
Product Name:
5-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-1,3,4-OXADIAZOLE-2-THIOL
Formula:
C8H9BrN4OS
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COMPUTED DESCRIPTORS
Molecular Weight | 289.15 g/mol |
---|---|
XLogP3 | 2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 287.96804 g/mol |
Monoisotopic Mass | 287.96804 g/mol |
Topological Polar Surface Area | 83.5 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 311 |
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 |