338791-65-4
Product Name:
3-(4-BENZOYL-5-PHENYL-1H-1,2,3-TRIAZOL-1-YL)-5-(TRIFLUOROMETHYL)-2-PYRIDINECARBONITRILE
Formula:
C22H12F3N5O
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COMPUTED DESCRIPTORS
| Molecular Weight | 419.4 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 419.09939451 g/mol |
| Monoisotopic Mass | 419.09939451 g/mol |
| Topological Polar Surface Area | 84.5 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 680 |
| 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 |