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147403-65-4 | 1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-[(hydroxyamino)iminomethyl][1,1'-biphenyl]-4-yl]methyl]-, methyl ester
CAS No: 147403-65-4 Catalog No: AG001EVS MDL No:MFCD21496678
Product Description
Catalog Number:
AG001EVS
Chemical Name:
1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-[(hydroxyamino)iminomethyl][1,1'-biphenyl]-4-yl]methyl]-, methyl ester
CAS Number:
147403-65-4
Molecular Formula:
C25H24N4O4
Molecular Weight:
444.4825
MDL Number:
MFCD21496678
IUPAC Name:
methyl 2-ethoxy-3-[[4-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate
InChI:
InChI=1S/C25H24N4O4/c1-3-33-25-27-21-10-6-9-20(24(30)32-2)22(21)29(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23(26)28-31/h4-14,31H,3,15H2,1-2H3,(H2,26,28)
InChI Key:
OQJREYQHKLULTR-UHFFFAOYSA-N
SMILES:
CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1C=NNO)c(ccc2)C(=O)OC
EC Number:
692-067-3
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
444.18g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.491g/mol
Monoisotopic Mass:
444.18g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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