87540-17-8
Product Name:
1,2,4-Triazolo(3,4-a)phthalazine, 3-(3,5-dibromo-2-ethoxyphenyl)-6-(1- pyrrolidinyl)-
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COMPUTED DESCRIPTORS
| Molecular Weight | 517.2 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 516.99359 g/mol |
| Monoisotopic Mass | 514.99564 g/mol |
| Topological Polar Surface Area | 55.6 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 565 |
| 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 |