923210-88-2
Product Name:
7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione
Formula:
C21H25Cl2N5O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 482.4 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 481.1283597 g/mol |
| Monoisotopic Mass | 481.1283597 g/mol |
| Topological Polar Surface Area | 99.9 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 703 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |