852373-42-3
Product Name:
N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
Formula:
C21H16ClN5O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 453.9 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 453.0662383 g/mol |
| Monoisotopic Mass | 453.0662383 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 626 |
| 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 |