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145644-13-9 | 1H-Imidazole-5-carboxamide, 4-chloro-N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS No: 145644-13-9 Catalog No: AG001D8T MDL No:
Product Description
Catalog Number:
AG001D8T
Chemical Name:
1H-Imidazole-5-carboxamide, 4-chloro-N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number:
145644-13-9
Molecular Formula:
C29H27ClIN7O2
Molecular Weight:
667.9278
IUPAC Name:
5-chloro-N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide
InChI:
InChI=1S/C29H27ClIN7O2/c1-2-5-25-33-27(30)26(29(40)32-15-14-18-10-13-24(39)23(31)16-18)38(25)17-19-8-11-20(12-9-19)21-6-3-4-7-22(21)28-34-36-37-35-28/h3-4,6-13,16,39H,2,5,14-15,17H2,1H3,(H,32,40)(H,34,35,36,37)
InChI Key:
WMCDNTWPKXBICS-UHFFFAOYSA-N
SMILES:
CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)NCCc1ccc(c(c1)I)O)Cl
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
667.096g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
667.936g/mol
Monoisotopic Mass:
667.096g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
Literature
| Title | Journal |
|---|---|
| [125I]EXP985: a highly potent and specific nonpeptide radioligand antagonist for the AT1 angiotensin receptor. | Biochemical and biophysical research communications 19921116 |
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