929971-15-3
Product Name:
6-(5-bromo-3-pyridinyl)-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Formula:
C16H12BrN5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.3 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 416.98951 g/mol |
| Monoisotopic Mass | 416.98951 g/mol |
| Topological Polar Surface Area | 103 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 464 |
| 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 |