261965-18-8
Product Name:
4-(3-METHOXYPROPYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Formula:
C13H14F3N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 317.33 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 317.08096774 g/mol |
| Monoisotopic Mass | 317.08096774 g/mol |
| Topological Polar Surface Area | 69 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 406 |
| 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 |