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Home Sulfos 1-(1H-imidazole-1-carbonyl)-4-(4-methylbenzenesulfonyl)piperazine

1-(1H-imidazole-1-carbonyl)-4-(4-methylbenzenesulfonyl)piperazine

CAS No.:
852840-17-6
Catalog Number:
AG019L2Q
Molecular Formula:
C15H18N4O3S
Molecular Weight:
334.3934
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Product Description
Catalog Number:
AG019L2Q
Chemical Name:
1-(1H-imidazole-1-carbonyl)-4-(4-methylbenzenesulfonyl)piperazine
CAS Number:
852840-17-6
Molecular Formula:
C15H18N4O3S
Molecular Weight:
334.3934
MDL Number:
MFCD06680086
IUPAC Name:
imidazol-1-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
InChI:
InChI=1S/C15H18N4O3S/c1-13-2-4-14(5-3-13)23(21,22)19-10-8-17(9-11-19)15(20)18-7-6-16-12-18/h2-7,12H,8-11H2,1H3
InChI Key:
CGMLTJMWUKAXEG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)n1cncc1
Properties
Complexity:
517  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.11g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.394g/mol
Monoisotopic Mass:
334.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
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