216501-13-2
Product Name:
5-(4-METHOXY-PHENYL)-4-(3-TRIFLUOROMETHYL-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Formula:
C16H12F3N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 351.3 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 351.06531767 g/mol |
| Monoisotopic Mass | 351.06531767 g/mol |
| Topological Polar Surface Area | 69 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 503 |
| 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 |