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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178779647Generated: November 2, 2026

Ethyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate · Benzo[b]thiophene-3-carboxylic acid, 2-[[[5-(2-furanyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-methyl-, ethyl ester

https://huagongshe.com/en/chemical/178779647

Ethyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate molecular structure

Identifiers & Physical Properties

CAS No.313248-45-2
Molecular formulaC24H21F3N4O4S
Average molar mass518.5 g/mol
SMILESCCOC(=O)c1c(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)sc2c1CCC(C)C2
InChIKeyKQDIECARRASPPS-UHFFFAOYSA-N

Chemical & Physical Properties

XLogP5.6
Topological polar surface area127
Hydrogen bond donors1
Hydrogen bond acceptors10
Rotatable bonds6
Heavy atoms36
Formal charge0
Complexity836
Density1.54±0.1 g/cm3(Predicted)
pKa (acidity coefficient)6.35±0.40(Predicted)