843627-31-6
Product Name:
4-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Formula:
C15H9BrF2N4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 395.2 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 393.96994 g/mol |
| Monoisotopic Mass | 393.96994 g/mol |
| Topological Polar Surface Area | 72.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 508 |
| 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 |