850913-89-2
Product Name:
1-(tert-butyl)-3-methyl-4-(p-tolylthio)-1H-pyrazol-5-yl 2-fluorobenzoate
Formula:
C22H23FN2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 398.5 g/mol |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 398.14642732 g/mol |
| Monoisotopic Mass | 398.14642732 g/mol |
| Topological Polar Surface Area | 69.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 533 |
| 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 |