727689-90-9
Product Name:
3-allyl-2-(benzylthio)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Formula:
C22H17FN2OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 408.5 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 408.07663368 g/mol |
| Monoisotopic Mass | 408.07663368 g/mol |
| Topological Polar Surface Area | 86.2 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 599 |
| 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 |