303997-35-5
Product Name:
R-7050
Formula:
C16H8ClF3N4S
Synonyms:
8-Chloro-4-(phenylsulfanyl)-1-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxaline;8-Chloro-4-(phenylthio)-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;TNF-α Antagonist III, R-7050 - CAS 303997-35-5 - Calbiochem
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COMPUTED DESCRIPTORS
| Molecular Weight | 380.8 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 380.0110296 g/mol |
| Monoisotopic Mass | 380.0110296 g/mol |
| Topological Polar Surface Area | 68.4 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 477 |
| 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 |