488120-98-5
Product Name:
4-[(E)-(4-fluorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Formula:
C16H13FN4OS
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 4.8 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 328.4 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 328.07941039 g/mol |
| Monoisotopic Mass | 328.07941039 g/mol |
| Topological Polar Surface Area | 81.3 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 471 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |