394237-38-8
Product Name:
(3-chlorobenzo[b]thiophen-2-yl)(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)methanone
Formula:
C21H17ClN2OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 413.0 g/mol |
|---|---|
| XLogP3 | 7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 412.0470832 g/mol |
| Monoisotopic Mass | 412.0470832 g/mol |
| Topological Polar Surface Area | 88.4 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 542 |
| 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 |