896816-01-6
Product Name:
N-(2,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Formula:
C21H21FN4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 396.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 396.14201064 g/mol |
| Monoisotopic Mass | 396.14201064 g/mol |
| Topological Polar Surface Area | 85.1 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 529 |
| 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 |