170570-01-1
Product Name:
4-DesMethyl-3-Methyl Celecoxib
Formula:
C17H14F3N3O2S
Synonyms:
4-[5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 381.4 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 381.07588236 g/mol |
| Monoisotopic Mass | 381.07588236 g/mol |
| Topological Polar Surface Area | 86.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 585 |
| 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 |