474648-87-8
Product Name:
3-methyl-6-phenyl-2,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-4-ium bromide
Formula:
C11H11BrN4S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 31.2 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 311.20 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 309.98878 g/mol |
| Monoisotopic Mass | 309.98878 g/mol |
| Topological Polar Surface Area | 68.4 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 288 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |