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Home > Pyridines > 242472-14-6
242472-14-6 | 1-benzyl-5-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-1,2-dihydropyridin-2-one
CAS No: 242472-14-6 Catalog No: AG00IOMZ MDL No:MFCD00140626
Product Description
Catalog Number:
AG00IOMZ
Chemical Name:
1-benzyl-5-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-1,2-dihydropyridin-2-one
CAS Number:
242472-14-6
Molecular Formula:
C14H11N3O2S
Molecular Weight:
285.3210
MDL Number:
MFCD00140626
IUPAC Name:
1-benzyl-5-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-2-one
InChI:
InChI=1S/C14H11N3O2S/c18-12-7-6-11(13-15-16-14(20)19-13)9-17(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,20)
InChI Key:
NCYXBRSXZMPBSM-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)c1ccc(=O)n(c1)Cc1ccccc1
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.321g/mol
Monoisotopic Mass:
285.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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