3-(6-benzoyl-2-oxo-2,3-dihydro-2-benzothiazol-3-yl)propanoic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 10969484
Molecular Formula

C17H13NO4S

SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)S3)CCC(=O)O

InChI

InChI=1S/C17H13NO4S/c19-15(20)8-9-18-13-7-6-12(10-14(13)23-17(18)22)16(21)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)

synonyms
  • 3(2H)-Benzothiazolepropanoic acid, 6-benzoyl-2-oxo-
  • 561305-65-5
  • DTXSID60450244
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Properties
Property Value
MW 327.4 g/mol
HBD 1
HBA 5
Rotatable Bond Count 5
Exact Mass 327.05652907 g/mol
Monoisotopic Mass 327.05652907 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 489
xlogp 2.7
Topological Polar Surface Area 100