896596-02-4
Product Name:
2-(3-hydroxypropyl)-4,7,8-trimethyl-6-(4-phenoxyphenyl)purino[7,8-a]imidazole-1,3-dione
Formula:
C25H25N5O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 459.5 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 459.19065430 g/mol |
| Monoisotopic Mass | 459.19065430 g/mol |
| Topological Polar Surface Area | 92.3 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 754 |
| 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 |