304877-86-9
Product Name:
8-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Formula:
C22H21BrN6O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 513.3 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 512.08077 g/mol |
| Monoisotopic Mass | 512.08077 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 713 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |