AC1LKO5U
N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: AN-698/42116675|N-[(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide|N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
CAS: 694476-53-4
| Molecular Formula | C20H19BrN4O3S |
|---|---|
| Molecular Weight | 474.03613 g/mol |
| LogP | 3.4912 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.03613 |
| Monoisotopic Mass | 474.03613 |
| Heavy Atoms | 29 |
| Complexity | 1003.57074 |
Chemical Identifiers
| CAS Number | 694476-53-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
AC1LKO5U (CAS 694476-53-4), with molecular formula C20H19BrN4O3S and molecular weight 474.03613 g/mol. IUPAC: N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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