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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178819876Generated: November 1, 2026

2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide

Acetamide, 2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)- · 2-{[5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

https://huagongshe.com/en/chemical/178819876

2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide molecular structure

Identifiers & Physical Properties

CAS No.663157-68-4
Molecular formulaC20H21ClN4O3S
Average molar mass432.9 g/mol
SMILESCOCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1
InChIKeyITYDSLDUEUPCJX-UHFFFAOYSA-N
ChEMBLCHEMBL1485893

Chemical & Physical Properties

XLogP3.2
Topological polar surface area104
Hydrogen bond donors1
Hydrogen bond acceptors6
Rotatable bonds9
Heavy atoms29
Formal charge0
Complexity510
Density1.32±0.1 g/cm3(Predicted)
pKa (acidity coefficient)12.49±0.70(Predicted)