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Home Other Building Blocks 3-[5-(diethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl]propanoic acid

3-[5-(diethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl]propanoic acid

CAS No.:
735322-69-7
Catalog Number:
AG019IFE
Molecular Formula:
C15H21N3O4S
Molecular Weight:
339.4099
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Product Description
Catalog Number:
AG019IFE
Chemical Name:
3-[5-(diethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl]propanoic acid
CAS Number:
735322-69-7
Molecular Formula:
C15H21N3O4S
Molecular Weight:
339.4099
MDL Number:
MFCD04614720
IUPAC Name:
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoic acid
InChI:
InChI=1S/C15H21N3O4S/c1-4-18(5-2)23(21,22)11-6-7-13-12(10-11)16-14(17(13)3)8-9-15(19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,20)
InChI Key:
GSFPGLYRCBMJNH-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc2c(c1)nc(n2C)CCC(=O)O)CC
Properties
Complexity:
515  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.125g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
339.41g/mol
Monoisotopic Mass:
339.125g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties