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Home > Pyridines > 1223636-41-6
1223636-41-6 | 5-(5-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}-1,3,4-oxadiazol-2-yl)-1-methyl-1,2-dihydropyridin-2-one
CAS No: 1223636-41-6 Catalog No: AG01BJ7P MDL No:MFCD16601842
Product Description
Catalog Number:
AG01BJ7P
Chemical Name:
5-(5-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}-1,3,4-oxadiazol-2-yl)-1-methyl-1,2-dihydropyridin-2-one
CAS Number:
1223636-41-6
Molecular Formula:
C15H13N3O2S
Molecular Weight:
299.3476
MDL Number:
MFCD16601842
IUPAC Name:
5-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
InChI:
InChI=1S/C15H13N3O2S/c1-18-8-10(5-6-13(18)19)14-16-17-15(20-14)12-7-9-3-2-4-11(9)21-12/h5-8H,2-4H2,1H3
InChI Key:
VVEWOUWNTRWRPB-UHFFFAOYSA-N
SMILES:
Cn1cc(ccc1=O)c1nnc(o1)c1cc2c(s1)CCC2
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.348g/mol
Monoisotopic Mass:
299.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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