573696-29-4
Product Name:
(Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
Formula:
C15H17N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 319.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 319.09906259 g/mol |
| Monoisotopic Mass | 319.09906259 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 409 |
| 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 |