499124-48-0
Product Name:
1-(4-fluorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Formula:
C22H17FN4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 404.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 404.11071051 g/mol |
| Monoisotopic Mass | 404.11071051 g/mol |
| Topological Polar Surface Area | 86 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 531 |
| 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 |