Home Carboxys 1H-BenziMidazole-5-carboxylic acid, 2-aMino-1-[trans-4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]cyclohexyl]-, ethyl ester

1H-BenziMidazole-5-carboxylic acid, 2-aMino-1-[trans-4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]cyclohexyl]-, ethyl ester

CAS No.:
1012104-43-6
Catalog Number:
AG008TAU
Molecular Formula:
C22H35N3O3Si
Molecular Weight:
417.6171
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Product Description
Catalog Number:
AG008TAU
Chemical Name:
1H-BenziMidazole-5-carboxylic acid, 2-aMino-1-[trans-4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]cyclohexyl]-, ethyl ester
CAS Number:
1012104-43-6
Molecular Formula:
C22H35N3O3Si
Molecular Weight:
417.6171
MDL Number:
MFCD22571228
IUPAC Name:
ethyl 2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]benzimidazole-5-carboxylate
InChI:
InChI=1S/C22H35N3O3Si/c1-7-27-20(26)15-8-13-19-18(14-15)24-21(23)25(19)16-9-11-17(12-10-16)28-29(5,6)22(2,3)4/h8,13-14,16-17H,7,9-12H2,1-6H3,(H2,23,24)
InChI Key:
VBSBJMSDOHBNMB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)nc(n2[C@@H]1CC[C@H](CC1)O[Si](C(C)(C)C)(C)C)N
Properties
Complexity:
572  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.245g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
417.625g/mol
Monoisotopic Mass:
417.245g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties