498538-31-1
Product Name:
3-(phenoxymethyl)-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Formula:
C17H13F3N4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 378.4 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 378.07621671 g/mol |
| Monoisotopic Mass | 378.07621671 g/mol |
| Topological Polar Surface Area | 81.3 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 561 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |