575460-49-0
Product Name:
(E)-3-(5-bromo-2-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Formula:
C13H12BrN3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 370.22 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 368.97828 g/mol |
| Monoisotopic Mass | 368.97828 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 410 |
| 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 |