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1628-58-6

1628-58-6 | 4-[2-(2-benzothiazol-2-yl)vinyl]-N,N-dimethylaniline

CAS No: 1628-58-6 Catalog No: AG00ACOZ MDL No:

Product Description

Catalog Number:
AG00ACOZ
Chemical Name:
4-[2-(2-benzothiazol-2-yl)vinyl]-N,N-dimethylaniline
CAS Number:
1628-58-6
IUPAC Name:
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline
InChI:
InChI=1S/C17H16N2S/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3/b12-9+
InChI Key:
MVMOMSLTZMMLJR-FMIVXFBMSA-N
EC Number:
216-622-2
UNII:
151J9IY8BY
NSC Number:
402471

Properties

Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
280.103g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.389g/mol
Monoisotopic Mass:
280.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

Literature

Title Journal
QSAR studies for prediction of cross-β sheet aggregate binding affinity and selectivity. Bioorganic & medicinal chemistry 20120215
Fluorescent probe studies of micropolarity, premicellar and micellar aggregation of non-ionic Brij surfactants. Journal of colloid and interface science 20100401
Application of a mathematical topological pattern of antihistaminic activity for the selection of new drug candidates and pharmacology assays. Journal of medicinal chemistry 20060615
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
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601

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