4-[6-[(E)-2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline

Base Information

• Chemical Name: 4-[6-[(E)-2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline
• CAS No.: 895333-99-0
• Molecular Formula: C20H19N5OS
• Molecular Weight: 377.5
• ChEMBL ID: CHEMBL4225362
• Mol file: 895333-99-0.mol

Synonyms:4-[6-[(E)-2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline;895333-99-0;CHEMBL4225362;AKOS003373797;AO-365/43300974;N-(4-{6-[2-(2-methoxyphenyl)vinyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}phenyl)-N,N-dimethylamine

Chemical Property of 4-[6-[(E)-2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-N,N-dimethylaniline

Chemical Property:

• PKA: 2.29±0.24(Predicted)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 377.13103142
• Heavy Atom Count: 27
• Complexity: 511

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C=CC4=CC=CC=C4OC
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)/C=C/C4=CC=CC=C4OC