717833-67-5
Product Name:
Ethyl 4-[({[4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Formula:
C21H22N4O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 426.5 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 426.13617637 g/mol |
| Monoisotopic Mass | 426.13617637 g/mol |
| Topological Polar Surface Area | 132 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 573 |
| 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 |