848996-00-9
Product Name:
methyl 4-(2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
Formula:
C24H28N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.6 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 452.18821194 g/mol |
| Monoisotopic Mass | 452.18821194 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 625 |
| 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 |