ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate

Base Information

• Chemical Name: ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate
• CAS No.: 5581-92-0
• Molecular Formula: C21H17N3O2
• Molecular Weight: 343.4
• DSSTox Substance ID: DTXSID30416973
• Wikidata: Q82226601
• Mol file: 5581-92-0.mol

Synonyms:5581-92-0;ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate;AC1NSX96;DTXSID30416973;CCG-12474;BIM-0025442.P001

Chemical Property of ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate

Chemical Property:

• Vapor Pressure: 3.45E-11mmHg at 25°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 343.132076794
• Heavy Atom Count: 26
• Complexity: 669

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=C1C=C(N=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N
• Isomeric SMILES: CCOC(=O)/C(=C\1/C=C(N=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)/C#N