893752-88-0
Product Name:
6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Formula:
C16H13F3N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 354.3 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 354.06498332 g/mol |
| Monoisotopic Mass | 354.06498332 g/mol |
| Topological Polar Surface Area | 80.4 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 468 |
| 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 |