887205-28-9
Product Name:
4-(4-FLUOROPHENYL)-5-[(PYRIMIDIN-2-YLTHIO)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Formula:
C13H10FN5S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 319.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 319.03616585 g/mol |
| Monoisotopic Mass | 319.03616585 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 405 |
| 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 |