704873-80-3
Product Name:
4-(1,3-benzodioxol-5-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Formula:
C14H10N4O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 298.32 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 298.05244675 g/mol |
| Monoisotopic Mass | 298.05244675 g/mol |
| Topological Polar Surface Area | 91.1 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 452 |
| 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 |