948113-00-6
Product Name:
2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2,2-dichlorocyclopropyl)phenyl]ethanone
Formula:
C21H19Cl2N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 432.4 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 431.0625888 g/mol |
| Monoisotopic Mass | 431.0625888 g/mol |
| Topological Polar Surface Area | 73.1 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 550 |
| 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 |