RefChem:449449
2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
Also Known As: BAS 01176990|2-{[5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(3-HYDROXYPHENYL)METHYLIDENE]ACETOHYDRAZIDE|2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-(3-hydroxyphenyl)methylidene)acetohydrazide|651-128-4|N-[(1E)-2-(3-hydroxyphenyl)-1-azavinyl]-2-[5-(4-bromophenyl)-4-(2-methylprop-2 -enyl)(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C21H20BrN5O2S |
|---|---|
| Molecular Weight | 485.05212 g/mol |
| LogP | 4.2317 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.05212 |
| Monoisotopic Mass | 485.05212 |
| Heavy Atoms | 30 |
| Complexity | 1079.2557 |
Chemical Identifiers
| CAS Number | 477734-76-2 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=CC=C2)O)C3=CC=C(C=C3)Br |
Product Overview
RefChem:449449 (CAS 477734-76-2), with molecular formula C21H20BrN5O2S and molecular weight 485.05212 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide.
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