929970-87-6
Product Name:
N-{4-[6-(3-bromo-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenyl}-N,N-dimethylamine
Formula:
C17H13BrFN5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.3 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 417.00591 g/mol |
| Monoisotopic Mass | 417.00591 g/mol |
| Topological Polar Surface Area | 74.6 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 |