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133085-33-3 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-[[2-butyl-6-[[(cyclohexylamino)carbonyl]amino]-1H-benzimidazol-1-yl]methyl]-
CAS No: 133085-33-3 Catalog No: AG00148T MDL No:
Product Description
Catalog Number:
AG00148T
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[2-butyl-6-[[(cyclohexylamino)carbonyl]amino]-1H-benzimidazol-1-yl]methyl]-
CAS Number:
133085-33-3
Molecular Formula:
C32H36N4O3
Molecular Weight:
524.6532
IUPAC Name:
2-[4-[[2-butyl-6-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid
InChI:
InChI=1S/C32H36N4O3/c1-2-3-13-30-35-28-19-18-25(34-32(39)33-24-9-5-4-6-10-24)20-29(28)36(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31(37)38/h7-8,11-12,14-20,24H,2-6,9-10,13,21H2,1H3,(H,37,38)(H2,33,34,39)
InChI Key:
OLQFKFSAJNUOPT-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2)NC(=O)NC1CCCCC1
Properties
Complexity:
794
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.279g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
524.665g/mol
Monoisotopic Mass:
524.279g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy. | Journal of medicinal chemistry 19960202 |
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