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124750-95-4 | 1H-Imidazole-5-carboxylic acid, 4-(1,1,2,2,2-pentafluoroethyl)-2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS No: 124750-95-4 Catalog No: AG000MPT MDL No:
Product Description
Catalog Number:
AG000MPT
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-(1,1,2,2,2-pentafluoroethyl)-2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number:
124750-95-4
Molecular Formula:
C23H19F5N6O2
Molecular Weight:
506.4280
IUPAC Name:
5-(1,1,2,2,2-pentafluoroethyl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
InChI:
InChI=1S/C23H19F5N6O2/c1-2-5-17-29-19(22(24,25)23(26,27)28)18(21(35)36)34(17)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)20-30-32-33-31-20/h3-4,6-11H,2,5,12H2,1H3,(H,35,36)(H,30,31,32,33)
InChI Key:
RQGDXPDTZWGCQI-UHFFFAOYSA-N
SMILES:
CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)C(C(F)(F)F)(F)F
Properties
Complexity:
751
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.149g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
506.437g/mol
Monoisotopic Mass:
506.149g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Angiotensin II receptor type 1 (AT1) selective nonpeptidic antagonists--a perspective. | Bioorganic & medicinal chemistry 20101215 |
| Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy. | Journal of medicinal chemistry 19960202 |
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