852030-47-8
Product Name:
9H-Purin-6-aMine, 8-[(6-broMo-1,3-benzodioxol-5-yl)thio]-9-(4-pentyn-1-yl)-
Formula:
C17H14BrN5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 432.3 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 431.00516 g/mol |
| Monoisotopic Mass | 431.00516 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 549 |
| 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 |