722465-65-8
Product Name:
3H-1,2,4-Triazole-3-thione, 4-(2-fluorophenyl)-2,4-dihydro-5-[(4-methoxyphenoxy)methyl]-
Formula:
C16H14FN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 331.4 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 331.07907603 g/mol |
| Monoisotopic Mass | 331.07907603 g/mol |
| Topological Polar Surface Area | 78.2 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 455 |
| 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 |