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202746-86-9 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(4,6-diphenyl-2-pyrimidinyl)-
CAS No: 202746-86-9 Catalog No: AG0028E4 MDL No:
Product Description
Catalog Number:
AG0028E4
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(4,6-diphenyl-2-pyrimidinyl)-
CAS Number:
202746-86-9
Molecular Formula:
C18H12N4OS
Molecular Weight:
332.3791
IUPAC Name:
5-(4,6-diphenylpyrimidin-2-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C18H12N4OS/c24-18-22-21-17(23-18)16-19-14(12-7-3-1-4-8-12)11-15(20-16)13-9-5-2-6-10-13/h1-11H,(H,22,24)
InChI Key:
VQYOZCLPFQCHFO-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(o1)c1nc(cc(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.381g/mol
Monoisotopic Mass:
332.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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