488854-41-7
Product Name:
2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
Formula:
C22H25ClN6OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 457.0 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 456.1499083 g/mol |
| Monoisotopic Mass | 456.1499083 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 611 |
| 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 |