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1164520-66-4 | (2E)-3-(4-chlorophenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CAS No: 1164520-66-4 Catalog No: AG00ISB9 MDL No:MFCD02186032
Product Description
Catalog Number:
AG00ISB9
Chemical Name:
(2E)-3-(4-chlorophenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CAS Number:
1164520-66-4
Molecular Formula:
C19H14ClNOS
Molecular Weight:
339.8386
MDL Number:
MFCD02186032
IUPAC Name:
(E)-3-(4-chlorophenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
InChI:
InChI=1S/C19H14ClNOS/c1-13-18(23-19(21-13)15-5-3-2-4-6-15)17(22)12-9-14-7-10-16(20)11-8-14/h2-12H,1H3/b12-9+
InChI Key:
LZBRVPQAZGBJMU-FMIVXFBMSA-N
SMILES:
Clc1ccc(cc1)/C=C/C(=O)c1sc(nc1C)c1ccccc1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
339.048g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.837g/mol
Monoisotopic Mass:
339.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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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