756495-48-4
Product Name:
2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Formula:
C21H23ClN4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 415.0 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 414.1281102 g/mol |
| Monoisotopic Mass | 414.1281102 g/mol |
| Topological Polar Surface Area | 85.1 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 513 |
| 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 |