2-[3-(4-Ethoxy-3,5-Dimethoxyphenyl)-6-(4-Fluorophenyl)-7H-[1,2,4]Triazolo[3,4-b][1,3,4]Thiadiazin-7-Yl]Acetic Acid
[CAS# 126598-18-3]

Identification

• Name: 2-[3-(4-Ethoxy-3,5-Dimethoxyphenyl)-6-(4-Fluorophenyl)-7H-[1,2,4]Triazolo[3,4-b][1,3,4]Thiadiazin-7-Yl]Acetic Acid
• Synonyms: 2-[3-(4-Ethoxy-3,5-Dimethoxy-Phenyl)-6-(4-Fluorophenyl)-7H-[1,2,4]Triazolo[3,4-B][1,3,4]Thiadiazin-7-Yl]Acetic Acid; 2-[3-(4-Ethoxy-3,5-Dimethoxy-Phenyl)-6-(4-Fluorophenyl)-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, 3-(3,5-Dimethoxyphenyl-4-Ethoxyphenyl)-6-(4-Fluorophenyl)-
• Molecular Formula: C₂₂H₂₁FN₄O₅S
• Molecular Weight: 472.49
• CAS Registry Number: 126598-18-3
• SMILES: C1=CC(=CC=C1C4=N[N]2C(=NN=C2C3=CC(=C(C(=C3)OC)OCC)OC)SC4CC(=O)O)F
• InChI: 1S/C22H21FN4O5S/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: UOASRQZPZAQSRU-UHFFFAOYSA-N

Properties

• Density: 1.449g/cm³ (Cal.)
• Boiling point: 689.785°C at 760 mmHg (Cal.)
• Flash point: 370.969°C (Cal.)