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85731-50-6 | 1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,7-diphenyl-, ethyl ester
CAS No: 85731-50-6 Catalog No: AG004SDY MDL No:
Product Description
Catalog Number:
AG004SDY
Chemical Name:
1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,7-diphenyl-, ethyl ester
CAS Number:
85731-50-6
Molecular Formula:
C21H17N3O2
Molecular Weight:
343.3786
IUPAC Name:
ethyl 4,7-diphenyl-3H-imidazo[4,5-c]pyridine-6-carboxylate
InChI:
InChI=1S/C21H17N3O2/c1-2-26-21(25)19-16(14-9-5-3-6-10-14)18-20(23-13-22-18)17(24-19)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,22,23)
InChI Key:
SWUSXJQJIIUDNZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(c2ccccc2)c2c(c1c1ccccc1)[nH]cn2
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.386g/mol
Monoisotopic Mass:
343.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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