537016-35-6
Product Name:
4-(2-methylprop-2-en-1-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Formula:
C15H19N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 321.4 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 321.11471265 g/mol |
| Monoisotopic Mass | 321.11471265 g/mol |
| Topological Polar Surface Area | 87.4 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 455 |
| 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 |