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 |