825605-35-4
Product Name:
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Formula:
C20H16N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 392.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 392.09431156 g/mol |
| Monoisotopic Mass | 392.09431156 g/mol |
| Topological Polar Surface Area | 99 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 560 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |