N-(5-Cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-4-fluorobenzamide

Base Information

• Chemical Name: N-(5-Cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-4-fluorobenzamide
• CAS No.: 847917-56-0
• Molecular Formula: C25H22FN5O2
• Molecular Weight: 443.5
• Mol file: 847917-56-0.mol

Synonyms:847917-56-0;N-(5-Cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-4-fluorobenzamide;AKOS001135636;AKOS033144547;AO-022/43454201;Z118331800;N-(3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene)-4-fluorobenzamide

Chemical Property of N-(5-Cyano-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)-4-fluorobenzamide

Chemical Property:

• PKA: 0.10±0.60(Predicted)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 443.17575312
• Heavy Atom Count: 33
• Complexity: 1090

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCN1C2=C(C=C(C1=NC(=O)C3=CC=C(C=C3)F)C#N)C(=O)N4C=CC=C(C4=N2)C