Home Carboxys 1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[(triphenylmethyl)-1H(or 2H)-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, ethyl ester (9CI)

1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[(triphenylmethyl)-1H(or 2H)-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, ethyl ester (9CI)

CAS No.:
189400-21-3
Catalog Number:
AG002DNA
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG002DNA
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[(triphenylmethyl)-1H(or 2H)-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, ethyl ester (9CI)
CAS Number:
189400-21-3
MDL Number:
MFCD11973634
IUPAC Name:
ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
InChI:
InChI=1S/C45H44N6O3/c1-5-18-39-46-41(44(3,4)53)40(43(52)54-6-2)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-48-49-51(42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30,53H,5-6,18,31H2,1-4H3
InChI Key:
TZQDBKJBKJIHPR-UHFFFAOYSA-N
EC Number:
604-436-8
Properties
Complexity:
1110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
716.347g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
716.886g/mol
Monoisotopic Mass:
716.347g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8  
Properties