478246-98-9
Product Name:
5-((Z)-[3-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE)-4H-THIENO[2,3-B]THIOPYRAN-4(6H)-ONE
Formula:
C15H9F3OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 326.4 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 326.00469174 g/mol |
| Monoisotopic Mass | 326.00469174 g/mol |
| Topological Polar Surface Area | 70.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 447 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |