951991-53-0
Product Name:
3-[[3-(5-bromopyridin-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid
Formula:
C15H11BrN4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 391.2 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 389.97861 g/mol |
| Monoisotopic Mass | 389.97861 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 516 |
| 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 |