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726154-95-6 | 5-[2-(pyridin-2-yl)quinolin-4-yl]-1,3,4-oxadiazole-2-thiol
CAS No: 726154-95-6 Catalog No: AG019HR7 MDL No:MFCD03964677
Product Description
Catalog Number:
AG019HR7
Chemical Name:
5-[2-(pyridin-2-yl)quinolin-4-yl]-1,3,4-oxadiazole-2-thiol
CAS Number:
726154-95-6
Molecular Formula:
C16H10N4OS
Molecular Weight:
306.3418
MDL Number:
MFCD03964677
IUPAC Name:
5-(2-pyridin-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C16H10N4OS/c22-16-20-19-15(21-16)11-9-14(13-7-3-4-8-17-13)18-12-6-2-1-5-10(11)12/h1-9H,(H,20,22)
InChI Key:
IHOLIHFSWZBRLS-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)c1cc(nc2c1cccc2)c1ccccn1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.058g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.343g/mol
Monoisotopic Mass:
306.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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