443863-07-8
Product Name:
4-allyl-5-{[4-(1-methyl-1-phenylethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
Formula:
C21H23N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 365.5 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 365.15618354 g/mol |
| Monoisotopic Mass | 365.15618354 g/mol |
| Topological Polar Surface Area | 69 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 531 |
| 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 |