321998-12-3
Product Name:
3-Chloro-2-(5-[4-(phenylsulfanyl)phenyl]-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine
Formula:
C21H13ClF3N3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 431.9 g/mol |
|---|---|
| XLogP3 | 6.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 431.0470808 g/mol |
| Monoisotopic Mass | 431.0470808 g/mol |
| Topological Polar Surface Area | 56 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 524 |
| 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 |