952000-56-5
Product Name:
3-(5-bromopyridin-3-yl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Formula:
C13H7BrN6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 359.21 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 357.96363 g/mol |
| Monoisotopic Mass | 357.96363 g/mol |
| Topological Polar Surface Area | 97.1 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 369 |
| 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 |