55682-69-4
Product Name:
2-[1-(4-Bromophenyl)-1,5-dihydro-5-hydroxy-5-phenyl-4H-1,2,3-triazol-4-ylidene]-1-phenylethanone
Formula:
C22H16BrN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 434.3 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 433.04259 g/mol |
| Monoisotopic Mass | 433.04259 g/mol |
| Topological Polar Surface Area | 65.3 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 617 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |