7-[4-[(4-Acetylphenyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Base Information

• Chemical Name: 7-[4-[(4-Acetylphenyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• CAS No.: 632299-40-2
• Molecular Formula: C26H25FN4O4S
• Molecular Weight: 508.6
• Mol file: 632299-40-2.mol

Synonyms:7-[4-[(4-acetylphenyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;AKOS005474235;632299-40-2;7-(4-((4-acetylphenyl)carbamothioyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Chemical Property of 7-[4-[(4-Acetylphenyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Chemical Property:

• PKA: 6.44±0.41(Predicted)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 508.15805463
• Heavy Atom Count: 36
• Complexity: 940

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F