4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile


Chemical Name: 4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
CAS Number: 844499-71-4
Product Number: AG0038EQ(AGN-PC-0ABKS6)
Synonyms:
MDL No: MFCD11977269
Molecular Formula: C20H12N2O3S
Molecular Weight: 360.3859

Identification/Properties


Computed Properties
Molecular Weight:
360.387g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
360.057g/mol
Monoisotopic Mass:
360.057g/mol
Topological Polar Surface Area:
122A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
647
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


PNMR/A_769662-844499-71-4-hnmr.pdf

Other Analytical Data


POTHER/A_769662-844499-71-4-hplc.pdf

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