951940-17-3
Product Name:
4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
Formula:
C18H17N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 355.4 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 355.09906259 g/mol |
| Monoisotopic Mass | 355.09906259 g/mol |
| Topological Polar Surface Area | 87.4 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 522 |
| 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 |