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Home > Pyridines > 477852-91-8
477852-91-8 | 1-benzyl-5-[5-(prop-2-yn-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]-1,2-dihydropyridin-2-one
CAS No: 477852-91-8 Catalog No: AG00INDT MDL No:MFCD00140550
Product Description
Catalog Number:
AG00INDT
Chemical Name:
1-benzyl-5-[5-(prop-2-yn-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]-1,2-dihydropyridin-2-one
CAS Number:
477852-91-8
Molecular Formula:
C17H13N3O2S
Molecular Weight:
323.3690
MDL Number:
MFCD00140550
IUPAC Name:
1-benzyl-5-(5-prop-2-ynylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
InChI:
InChI=1S/C17H13N3O2S/c1-2-10-23-17-19-18-16(22-17)14-8-9-15(21)20(12-14)11-13-6-4-3-5-7-13/h1,3-9,12H,10-11H2
InChI Key:
ONEXGYGZEHWYCS-UHFFFAOYSA-N
SMILES:
C#CCSc1nnc(o1)c1ccc(=O)n(c1)Cc1ccccc1
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.37g/mol
Monoisotopic Mass:
323.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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