3,4-Dihydro-4-oxo-1,5-benzothiazepine-5(2H)-butanoic acid

Base Information

• Chemical Name: 3,4-Dihydro-4-oxo-1,5-benzothiazepine-5(2H)-butanoic acid
• CAS No.: 383187-86-8
• Molecular Formula: C₁₃H₁₅NO₃S
• Molecular Weight: 265.333
• DSSTox Substance ID: DTXSID301198384

Synonyms:DTXSID301198384;3,4-Dihydro-4-oxo-1,5-benzothiazepine-5(2H)-butanoic acid;383187-86-8

Chemical Property of 3,4-Dihydro-4-oxo-1,5-benzothiazepine-5(2H)-butanoic acid

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 265.07726451
• Heavy Atom Count: 18
• Complexity: 321

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MSDS Files:

Useful:

• Canonical SMILES: C1CSC2=CC=CC=C2N(C1=O)CCCC(=O)O

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