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338954-71-5

338954-71-5 | N-{5,6-dimethyl-1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-4-yl}methanesulfonamide

CAS No: 338954-71-5 Catalog No: AG00IYDI MDL No:MFCD00231807

Product Description

Catalog Number:
AG00IYDI
Chemical Name:
N-{5,6-dimethyl-1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-4-yl}methanesulfonamide
CAS Number:
338954-71-5
Molecular Formula:
C18H21N3O2S
Molecular Weight:
343.4432
MDL Number:
MFCD00231807
IUPAC Name:
N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide
InChI:
InChI=1S/C18H21N3O2S/c1-12-7-5-6-8-15(12)10-21-11-19-18-16(21)9-13(2)14(3)17(18)20-24(4,22)23/h5-9,11,20H,10H2,1-4H3
InChI Key:
LUPCQHWBVTUKBT-UHFFFAOYSA-N
SMILES:
Cc1cc2n(cnc2c(c1C)NS(=O)(=O)C)Cc1ccccc1C

Properties

Complexity:
533  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.135g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
343.445g/mol
Monoisotopic Mass:
343.135g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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

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