1709956-95-5
Product Name:
Parecoxib
Formula:
C16H12ClNO3S
Synonyms:
N-[[4-(5-Methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]propanamide;N-{[4-(5-Methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propionamide
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COMPUTED DESCRIPTORS
| Molecular Weight | 333.8 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 333.0226421 g/mol |
| Monoisotopic Mass | 333.0226421 g/mol |
| Topological Polar Surface Area | 68.6 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 472 |
| 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 |