2-(6-(4-Bromophenyl)-3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)acetic acid

Base Information

• Chemical Name: 2-(6-(4-Bromophenyl)-3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)acetic acid
• CAS No.: 126598-20-7
• Molecular Formula: C22H21 Br N4 O5 S
• Molecular Weight: 533.3949
• DSSTox Substance ID: DTXSID30925611
• Mol file: 126598-20-7.mol

Synonyms:126598-20-7;2-(6-(4-Bromophenyl)-3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)acetic acid;7H-1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazine-7-acetic acid, 6-(4-bromophenyl)-3-(3,5-dimethoxy-4-ethoxyphenyl)-;C22H21BrN4O5S;DTXSID30925611;C22-H21-Br-N4-O5-S;LS-156905;[6-(4-Bromophenyl)-3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid

Chemical Property of 2-(6-(4-Bromophenyl)-3-(4-ethoxy-3,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)acetic acid

Chemical Property:

• Vapor Pressure: 8.04E-22mmHg at 25°C
• Boiling Point: 721°C at 760 mmHg
• Flash Point: 389.9°C
• Density: 1.58g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 532.04160
• Heavy Atom Count: 33
• Complexity: 696

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1OC)C2=NN=C3N2N=C(C(S3)CC(=O)O)C4=CC=C(C=C4)Br)OC