3-phenyl-3-[[4-(4-pyridin-4-ylphenyl)thiophene-2-carbonyl]amino]propanoic acid


Chemical Name: 3-phenyl-3-[[4-(4-pyridin-4-ylphenyl)thiophene-2-carbonyl]amino]propanoic acid
CAS Number: 766536-21-4
Product Number: AG00GAOM(AGN-PC-037TUA)
Synonyms:
MDL No:
Molecular Formula: C25H20N2O3S
Molecular Weight: 428.5029

Identification/Properties


Computed Properties
Molecular Weight:
428.506g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
428.119g/mol
Monoisotopic Mass:
428.119g/mol
Topological Polar Surface Area:
108A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
596
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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