606111-58-4
Product Name:
Acetamide, N-(1,1-dimethylethyl)-2-[[4-ethyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)- (9CI)
Formula:
C21H26N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 398.5 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 398.17764726 g/mol |
| Monoisotopic Mass | 398.17764726 g/mol |
| Topological Polar Surface Area | 89.5 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 507 |
| 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 |