80985-26-8
Product Name:
1-(4-methoxyphenyl)-2-(9H-purin-6-ylsulfanyl)ethanone
Formula:
C14H12N4O2S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 8 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 300.34 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 300.06809681 g/mol |
| Monoisotopic Mass | 300.06809681 g/mol |
| Topological Polar Surface Area | 106 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 363 |
| 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 |