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1159977-48-6

1159977-48-6 | 1H-Imidazole-2-ethanol, α-[2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazol-5-yl]-4-chloro-5-(hydroxymethyl)-β-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-

CAS No: 1159977-48-6 Catalog No: AG000HEM MDL No:

Product Description

Catalog Number:
AG000HEM
Chemical Name:
1H-Imidazole-2-ethanol, α-[2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazol-5-yl]-4-chloro-5-(hydroxymethyl)-β-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number:
1159977-48-6
Molecular Formula:
C44H44Cl2N12O2
Molecular Weight:
843.8054
IUPAC Name:
1-[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2-[4-chloro-5-(hydroxymethyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-yl]pentan-1-ol
InChI:
InChI=1S/C44H44Cl2N12O2/c1-3-5-15-37-47-41(46)38(58(37)25-28-18-22-30(23-19-28)32-12-7-9-14-34(32)43-51-55-56-52-43)39(60)35(10-4-2)44-48-40(45)36(26-59)57(44)24-27-16-20-29(21-17-27)31-11-6-8-13-33(31)42-49-53-54-50-42/h6-9,11-14,16-23,35,39,59-60H,3-5,10,15,24-26H2,1-2H3,(H,49,50,53,54)(H,51,52,55,56)
InChI Key:
FLBMRAUQPGDBON-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(C(c1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)CO)Cl)CCC)O)Cl

Properties

Complexity:
1280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
842.309g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
843.818g/mol
Monoisotopic Mass:
842.309g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2  

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