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83936-02-1 | 4(1H)-Quinolinone, 1-methyl-3-[[3-(methylthio)-4-quinolinyl]thio]-
CAS No: 83936-02-1 Catalog No: AG004R5S MDL No:
Product Description
Catalog Number:
AG004R5S
Chemical Name:
4(1H)-Quinolinone, 1-methyl-3-[[3-(methylthio)-4-quinolinyl]thio]-
CAS Number:
83936-02-1
Molecular Formula:
C20H16N2OS2
Molecular Weight:
364.4838
IUPAC Name:
1-methyl-3-(3-methylsulfanylquinolin-4-yl)sulfanylquinolin-4-one
InChI:
InChI=1S/C20H16N2OS2/c1-22-12-18(19(23)14-8-4-6-10-16(14)22)25-20-13-7-3-5-9-15(13)21-11-17(20)24-2/h3-12H,1-2H3
InChI Key:
QNJWLZWBRUDNGL-UHFFFAOYSA-N
SMILES:
CSc1cnc2c(c1Sc1cn(C)c3c(c1=O)cccc3)cccc2
NSC Number:
649313
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.07g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.481g/mol
Monoisotopic Mass:
364.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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