488852-41-1
Product Name:
(E)-2-(((3-(2-bromophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)-6-ethoxyphenol
Formula:
C17H15BrN4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 419.3 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 418.00991 g/mol |
| Monoisotopic Mass | 418.00991 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 545 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |