876942-63-1
Product Name:
1-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
Formula:
C22H18N4OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.5 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 418.09220356 g/mol |
| Monoisotopic Mass | 418.09220356 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 638 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |