956185-68-5
Product Name:
4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Formula:
C21H20N6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 388.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 388.14701584 g/mol |
| Monoisotopic Mass | 388.14701584 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 628 |
| 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 |