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151322-90-6 | 5-Pyrimidinecarboxylic acid, 4-[propyl[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]-
CAS No: 151322-90-6 Catalog No: AG001NAA MDL No:
Product Description
Catalog Number:
AG001NAA
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-[propyl[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]-
CAS Number:
151322-90-6
Molecular Formula:
C22H21N7O2
Molecular Weight:
415.4478
IUPAC Name:
4-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C22H21N7O2/c1-2-11-29(21-19(22(30)31)12-23-14-24-21)13-15-7-9-16(10-8-15)17-5-3-4-6-18(17)20-25-27-28-26-20/h3-10,12,14H,2,11,13H2,1H3,(H,30,31)(H,25,26,27,28)
InChI Key:
QLYHVKQIKYGJHI-UHFFFAOYSA-N
SMILES:
CCCN(c1ncncc1C(=O)O)Cc1ccc(cc1)c1ccccc1c1n[nH]nn1
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.176g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
415.457g/mol
Monoisotopic Mass:
415.176g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Angiotensin II receptor type 1 (AT1) selective nonpeptidic antagonists--a perspective. | Bioorganic & medicinal chemistry 20101215 |
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