861649-91-4
Product Name:
3-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazole
Formula:
C21H18BrN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 440.4 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 439.03540 g/mol |
| Monoisotopic Mass | 439.03540 g/mol |
| Topological Polar Surface Area | 69.2 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 463 |
| 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 |