797798-11-9
Product Name:
methyl 2-((5-(4-ethoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
Formula:
C15H19N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 321.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 321.11471265 g/mol |
| Monoisotopic Mass | 321.11471265 g/mol |
| Topological Polar Surface Area | 91.5 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 351 |
| 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 |