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Home > Pyridines > 565195-66-6
565195-66-6 | 5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(1,3-thiazol-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS No: 565195-66-6 Catalog No: AG019I0W MDL No:MFCD03973160
Product Description
Catalog Number:
AG019I0W
Chemical Name:
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(1,3-thiazol-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
565195-66-6
Molecular Formula:
C17H11N3O4S
Molecular Weight:
353.3519
MDL Number:
MFCD03973160
IUPAC Name:
5-(2-hydroxy-5-methoxybenzoyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C17H11N3O4S/c1-24-12-2-3-14(21)13(7-12)15(22)11-6-10(8-18)16(23)20(9-11)17-19-4-5-25-17/h2-7,9,21H,1H3
InChI Key:
QSXLTFLMENFXJI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cn(c1=O)c1nccs1)C(=O)c1cc(OC)ccc1O
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.047g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.352g/mol
Monoisotopic Mass:
353.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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