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179337-84-9

179337-84-9 | Thieno[2,3-b]pyridin-6(7H)-one, 4-hydroxy-2-methyl-5-phenyl-

CAS No: 179337-84-9 Catalog No: AG0026Y6 MDL No:

Product Description

Catalog Number:
AG0026Y6
Chemical Name:
Thieno[2,3-b]pyridin-6(7H)-one, 4-hydroxy-2-methyl-5-phenyl-
CAS Number:
179337-84-9
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
4-hydroxy-2-methyl-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
InChI:
InChI=1S/C14H11NO2S/c1-8-7-10-12(16)11(9-5-3-2-4-6-9)13(17)15-14(10)18-8/h2-7H,1H3,(H2,15,16,17)
InChI Key:
KVRVMCQXLCPWHV-UHFFFAOYSA-N
SMILES:
Cc1sc2c(c1)c(O)c(c(=O)[nH]2)c1ccccc1

Properties

Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

Title Journal
Synthesis of thieno[2,3-b]pyridinones acting as cytoprotectants and as inhibitors of [3H]glycine binding to the N-methyl-D-aspartate (NMDA) receptor. Journal of medicinal chemistry 20060209

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