923217-93-0
Product Name:
1-[2-(3-methoxyanilino)ethyl]-3,4,7,9-tetramethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Formula:
C20H25N7O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 411.5 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 411.20188768 g/mol |
| Monoisotopic Mass | 411.20188768 g/mol |
| Topological Polar Surface Area | 95.3 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 717 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |