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167375-28-2 | [1,1'-Biphenyl]-2-carboxylic acid, 4'-[(7-hydroxy-5-propylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-
CAS No: 167375-28-2 Catalog No: AG001XBT MDL No:
Product Description
Catalog Number:
AG001XBT
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 4'-[(7-hydroxy-5-propylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-
CAS Number:
167375-28-2
Molecular Formula:
C23H21N3O3
Molecular Weight:
387.4311
IUPAC Name:
2-[4-[(7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid
InChI:
InChI=1S/C23H21N3O3/c1-2-5-20-19(22(27)26-21(25-20)12-13-24-26)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)23(28)29/h3-4,6-13,24H,2,5,14H2,1H3,(H,28,29)
InChI Key:
NHHVQPWNYREWJP-UHFFFAOYSA-N
SMILES:
CCCc1nc2ccnn2c(c1Cc1ccc(cc1)c1ccccc1C(=O)O)O
Properties
Complexity:
747
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.158g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.439g/mol
Monoisotopic Mass:
387.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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