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90074-17-2 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(6-methyl-2-phenyl-4-quinolinyl)-
CAS No: 90074-17-2 Catalog No: AG00H8AS MDL No:
Product Description
Catalog Number:
AG00H8AS
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(6-methyl-2-phenyl-4-quinolinyl)-
CAS Number:
90074-17-2
Molecular Formula:
C18H13N3OS
Molecular Weight:
319.3803
IUPAC Name:
5-(6-methyl-2-phenylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C18H13N3OS/c1-11-7-8-15-13(9-11)14(17-20-21-18(23)22-17)10-16(19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)
InChI Key:
WZUHWLKTGCXSKX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(cc(n2)c1ccccc1)c1n[nH]c(=S)o1
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.078g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.382g/mol
Monoisotopic Mass:
319.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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