774191-51-4
Product Name:
4-[(5-bromo-2-methoxybenzyl)amino]-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
Formula:
C11H13BrN4OS
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 27.4 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 329.22 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 327.99934 g/mol |
| Monoisotopic Mass | 327.99934 g/mol |
| Topological Polar Surface Area | 81 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 352 |
| 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 |