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167375-22-6 | Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 7-propyl-6-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS No: 167375-22-6 Catalog No: AG001XBW MDL No:
Product Description
Catalog Number:
AG001XBW
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 7-propyl-6-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number:
167375-22-6
Molecular Formula:
C23H21N7O
Molecular Weight:
411.4591
IUPAC Name:
7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C23H21N7O/c1-2-5-20-19(23(31)25-21-12-13-24-30(20)21)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-4,6-13H,2,5,14H2,1H3,(H,25,31)(H,26,27,28,29)
InChI Key:
PZDOCGHFQDOGOS-UHFFFAOYSA-N
SMILES:
CCCc1c(Cc2ccc(cc2)c2ccccc2c2n[nH]nn2)c(=O)[nH]c2n1ncc2
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.181g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.469g/mol
Monoisotopic Mass:
411.181g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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