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167375-26-0 | Pyrazolo[1,5-a]pyrimidine, 5,7-dipropyl-6-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS No: 167375-26-0 Catalog No: AG001XBV MDL No:
Product Description
Catalog Number:
AG001XBV
Chemical Name:
Pyrazolo[1,5-a]pyrimidine, 5,7-dipropyl-6-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number:
167375-26-0
Molecular Formula:
C26H27N7
Molecular Weight:
437.5395
IUPAC Name:
5,7-dipropyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C26H27N7/c1-3-7-23-22(24(8-4-2)33-25(28-23)15-16-27-33)17-18-11-13-19(14-12-18)20-9-5-6-10-21(20)26-29-31-32-30-26/h5-6,9-16H,3-4,7-8,17H2,1-2H3,(H,29,30,31,32)
InChI Key:
XCYJKTHBHIRGPF-UHFFFAOYSA-N
SMILES:
CCCc1nc2ccnn2c(c1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)CCC
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.233g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
437.551g/mol
Monoisotopic Mass:
437.233g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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