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1006062-27-6 | 1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, 5-acetate
CAS No: 1006062-27-6 Catalog No: AG0002H0 MDL No:
Product Description
Catalog Number:
AG0002H0
Chemical Name:
1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, 5-acetate
CAS Number:
1006062-27-6
Molecular Formula:
C24H25ClN6O2
Molecular Weight:
464.9473
IUPAC Name:
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl acetate
InChI:
InChI=1S/C24H25ClN6O2/c1-3-4-9-22-26-23(25)21(15-33-16(2)32)31(22)14-17-10-12-18(13-11-17)19-7-5-6-8-20(19)24-27-29-30-28-24/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,28,29,30)
InChI Key:
HIUYRCVDCVFSBP-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)COC(=O)C)Cl
UNII:
X65NI9XVQ4
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.173g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
464.954g/mol
Monoisotopic Mass:
464.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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