896665-76-2
Product Name:
2-benzylsulfanyl-5-methyl-6-(3-methylbutyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Formula:
C18H22N4OS
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 1.1 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 342.5 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 342.15143251 g/mol |
| Monoisotopic Mass | 342.15143251 g/mol |
| Topological Polar Surface Area | 82.4 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 588 |
| 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 |