896667-96-2
Product Name:
2-benzylsulfanyl-5-(3,4-dimethoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Formula:
C20H18N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 394.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 394.10996162 g/mol |
| Monoisotopic Mass | 394.10996162 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 687 |
| 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 |