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1006062-28-7 | 2H-Tetrazole, 5-[4'-[[2-butyl-4-chloro-5-[(triphenylmethoxy)methyl]-1H-imidazol-1-yl]methyl][1,1'-biphenyl]-2-yl]-
CAS No: 1006062-28-7 Catalog No: AG0002GZ MDL No:
Product Description
Catalog Number:
AG0002GZ
Chemical Name:
2H-Tetrazole, 5-[4'-[[2-butyl-4-chloro-5-[(triphenylmethoxy)methyl]-1H-imidazol-1-yl]methyl][1,1'-biphenyl]-2-yl]-
CAS Number:
1006062-28-7
Molecular Formula:
C41H37ClN6O
Molecular Weight:
665.2251
IUPAC Name:
5-[2-[4-[[2-butyl-4-chloro-5-(trityloxymethyl)imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
InChI:
InChI=1S/C41H37ClN6O/c1-2-3-23-38-43-39(42)37(48(38)28-30-24-26-31(27-25-30)35-21-13-14-22-36(35)40-44-46-47-45-40)29-49-41(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34/h4-22,24-27H,2-3,23,28-29H2,1H3,(H,44,45,46,47)
InChI Key:
RIUQREUAFRCKLE-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)COC(c1ccccc1)(c1ccccc1)c1ccccc1)Cl
UNII:
M28MZ3K5Z8
Properties
Complexity:
916
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
664.272g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
665.238g/mol
Monoisotopic Mass:
664.272g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
Literature
| Title | Journal |
|---|---|
| Trityl losartan. | Acta crystallographica. Section C, Crystal structure communications 20041101 |
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