944769-54-4
Product Name:
3-cyano-2-{[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl}-3',6-bipyridine
Formula:
C21H16FN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 377.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 377.09981148 g/mol |
| Monoisotopic Mass | 377.09981148 g/mol |
| Topological Polar Surface Area | 91.9 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 529 |
| 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 |