2-[6-(4-Chlorophenyl)-3-(4-Ethoxy-3,5-Dimethoxyphenyl)-7H-[1,2,4]Triazolo[3,4-b][1,3,4]Thiadiazin-7-Yl]Acetic Acid
[CAS# 126598-19-4]

Identification

• Name: 2-[6-(4-Chlorophenyl)-3-(4-Ethoxy-3,5-Dimethoxyphenyl)-7H-[1,2,4]Triazolo[3,4-b][1,3,4]Thiadiazin-7-Yl]Acetic Acid
• Synonyms: 2-[6-(4-Chlorophenyl)-3-(4-Ethoxy-3,5-Dimethoxy-Phenyl)-7H-[1,2,4]Triazolo[3,4-B][1,3,4]Thiadiazin-7-Yl]Acetic Acid; 2-[6-(4-Chlorophenyl)-3-(4-Ethoxy-3,5-Dimethoxy-Phenyl)-7H-[1,2,4]Triazolo[3,4-B][1,3,4]Thiadiazin-7-Yl]Ethanoic Acid; 7H-1,2,4-Triazolo(3,4-B)(1,3,4)Thiadiazine-7-Acetic Acid, 6-(4-Chlorophenyl)-3-(3,5-Dimethoxy-4-Ethoxyphenyl)-
• Molecular Formula: C₂₂H₂₁ClN₄O₅S
• Molecular Weight: 488.94
• CAS Registry Number: 126598-19-4
• SMILES: C1=C(C(=C(C=C1C2=NN=C3SC(C(=N[N]23)C4=CC=C(C=C4)Cl)CC(=O)O)OC)OCC)OC
• InChI: 1S/C22H21ClN4O5S/c1-4-32-20-15(30-2)9-13(10-16(20)31-3)21-24-25-22-27(21)26-19(17(33-22)11-18(28)29)12-5-7-14(23)8-6-12/h5-10,17H,4,11H2,1-3H3,(H,28,29)
• InChIKey: ZHDJFCHLVCLDRN-UHFFFAOYSA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 709.977°C at 760 mmHg (Cal.)
• Flash point: 383.18°C (Cal.)