68869-53-4
Product Name:
s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-
Formula:
C23H21N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 403.5 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 403.13544809 g/mol |
| Monoisotopic Mass | 403.13544809 g/mol |
| Topological Polar Surface Area | 78.2 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 563 |
| 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 |