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1403474-70-3 | 1H-Benzimidazole-7-carboxylic acid, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-, ethyl ester
CAS No: 1403474-70-3 Catalog No: AG001C93 MDL No:MFCD28404679
Product Description
Catalog Number:
AG001C93
Chemical Name:
1H-Benzimidazole-7-carboxylic acid, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-2-ethoxy-, ethyl ester
CAS Number:
1403474-70-3
Molecular Formula:
C27H24N4O5
Molecular Weight:
484.5033
MDL Number:
MFCD28404679
IUPAC Name:
ethyl 2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
InChI:
InChI=1S/C27H24N4O5/c1-3-34-25(32)21-10-7-11-22-23(21)31(26(28-22)35-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24-29-27(33)36-30-24/h5-15H,3-4,16H2,1-2H3,(H,29,30,33)
InChI Key:
OWLFNOWZZXCCNU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1n(Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(n2)OCC
Properties
Complexity:
814
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.175g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
484.512g/mol
Monoisotopic Mass:
484.175g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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