737807-25-9
Product Name:
4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazole-3-thiol
Formula:
C13H13N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 275.33 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 275.07284784 g/mol |
| Monoisotopic Mass | 275.07284784 g/mol |
| Topological Polar Surface Area | 82.1 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 401 |
| 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 |