AC1NQDB8
N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)prop-2-enamide
Also Known As: N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)prop-2-enamide|N-[(5-{[2-(4-Chloroanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-(2-chlorophenyl)prop-2-enamide
CAS: 5548-76-5
| Molecular Formula | C21H19Cl2N5O2S |
|---|---|
| Molecular Weight | 475.06366 g/mol |
| LogP | 4.1823 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.06366 |
| Monoisotopic Mass | 475.06366 |
| Heavy Atoms | 31 |
| Complexity | 1099.4044 |
Chemical Identifiers
| CAS Number | 5548-76-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CNC(=O)C=CC3=CC=CC=C3Cl |
Product Overview
AC1NQDB8 (CAS 5548-76-5), with molecular formula C21H19Cl2N5O2S and molecular weight 475.06366 g/mol. IUPAC: N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)prop-2-enamide.
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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