4-Acetoxy-2-(1-chloroethylthio)-6,7-difluoro-3-quinolinecarboxylic acid ethyl ester

Base Information

• Chemical Name: 4-Acetoxy-2-(1-chloroethylthio)-6,7-difluoro-3-quinolinecarboxylic acid ethyl ester
• CAS No.: 154330-69-5
• Molecular Formula: C₁₆H₁₄ClF₂NO₄S
• Molecular Weight: 389.807
• DSSTox Substance ID: DTXSID301136213
• Nikkaji Number: J920.592F

Synonyms:DTXSID301136213;4-Acetoxy-2-(1-chloroethylthio)-6,7-difluoro-3-quinolinecarboxylic acid ethyl ester;Ethyl 4-(acetyloxy)-2-[(1-chloroethyl)thio]-6,7-difluoro-3-quinolinecarboxylate;154330-69-5

Chemical Property of 4-Acetoxy-2-(1-chloroethylthio)-6,7-difluoro-3-quinolinecarboxylic acid ethyl ester

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 389.0300131
• Heavy Atom Count: 25
• Complexity: 501

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Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1SC(C)Cl)F)F)OC(=O)C

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