840483-92-3
Product Name:
(Z)-3-(5-chloro-2-((4-cyanobenzyl)oxy)phenyl)-2-((5-methyl-1H-1,2,4-triazol-3-yl)thio)acrylic acid
Formula:
C20H15ClN4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 426.9 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 426.0553392 g/mol |
| Monoisotopic Mass | 426.0553392 g/mol |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 647 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |