863460-19-9
Product Name:
ethyl 2-(2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamido)benzoate
Formula:
C21H17FN6O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 452.10668776 g/mol |
| Monoisotopic Mass | 452.10668776 g/mol |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 653 |
| 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 |