688779-26-2
Product Name:
2-CHLORO-6-FLUOROBENZYL 5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL SULFIDE
Formula:
C14H12ClFN4S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 30.5 [ug/mL] (The mean of the results at pH 7.4) |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 322.8 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 322.0455234 g/mol |
| Monoisotopic Mass | 322.0455234 g/mol |
| Topological Polar Surface Area | 68.4 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 364 |
| 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 |