894310-79-3
Product Name:
3-[(4-bromophenyl)methylsulfanyl]-5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazole
Formula:
C19H18BrN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 416.3 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 415.03540 g/mol |
| Monoisotopic Mass | 415.03540 g/mol |
| Topological Polar Surface Area | 65.2 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 400 |
| 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 |