625369-71-3
Product Name:
ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate
Formula:
C21H23F3N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 424.5 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 424.14323364 g/mol |
| Monoisotopic Mass | 424.14323364 g/mol |
| Topological Polar Surface Area | 88.3 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 648 |
| 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 |