714940-12-2
Product Name:
3-methyl-7-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-8-piperidin-1-ylpurine-2,6-dione
Formula:
C21H25N9O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 467.5 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 467.18519225 g/mol |
| Monoisotopic Mass | 467.18519225 g/mol |
| Topological Polar Surface Area | 139 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 703 |
| 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 |