318247-40-4
Product Name:
3-Chloro-2-(3-(4-nitro-3-[(phenylsulfonyl)methyl]phenyl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine
Formula:
C22H14ClF3N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 522.9 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 522.0376383 g/mol |
| Monoisotopic Mass | 522.0376383 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 847 |
| 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 |