ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-[(E)-2-phenylethenyl]quinolin-6-yl]oxyacetate

Base Information

• Chemical Name: ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-[(E)-2-phenylethenyl]quinolin-6-yl]oxyacetate
• CAS No.: 316124-89-7
• Molecular Formula: C28H26N2O5S
• Molecular Weight: 502.58
• DSSTox Substance ID: DTXSID60422143
• Nikkaji Number: J1.474.282D
• Wikidata: Q82233979
• Mol file: 316124-89-7.mol

Synonyms:316124-89-7;Ethyl 2-(2-[(E)-2-Phenyl-1-ethenyl]-6-quinolyloxy-8-p-toluenesulfonamido)acetate;ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-[(E)-2-phenylethenyl]quinolin-6-yl]oxyacetate;AC1O21EP;DTXSID60422143;IXNUYBPDJWYUSO-ACCUITESSA-N;J-018492;[[2-[(E)-2-Phenylvinyl]-8-(tosylamino)quinoline-6-yl]oxy]acetic acid ethyl ester

Chemical Property of ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-[(E)-2-phenylethenyl]quinolin-6-yl]oxyacetate

Chemical Property:

• Melting Point: 149-151°C
• PSA: 102.97000
• LogP: 6.61010
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 502.15624311
• Heavy Atom Count: 36
• Complexity: 827

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(2-[(E)-2-Phenyl-1-ethenyl]-6-quinolyloxy-8-p-toluenesulfonamido)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC(=C2C(=C1)C=CC(=N2)C=CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C
• Isomeric SMILES: CCOC(=O)COC1=CC(=C2C(=C1)C=CC(=N2)/C=C/C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C