613230-81-2
Product Name:
4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione
Formula:
C20H21BrN4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 445.4 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 444.06195 g/mol |
| Monoisotopic Mass | 444.06195 g/mol |
| Topological Polar Surface Area | 81.3 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 595 |
| 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 |