313404-88-5
Product Name:
7-[2-(4-bromophenyl)-2-oxoethyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Formula:
C19H21BrN6O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 461.3 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 460.08585 g/mol |
| Monoisotopic Mass | 460.08585 g/mol |
| Topological Polar Surface Area | 90.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 662 |
| 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 |