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3458-58-0 | 4-[2-[2-(Methylsulfonyl)phenyl]imidazo[1,2-a]pyrimidin-3-ylmethyl]-1-piperazineethanol
CAS No: 3458-58-0 Catalog No: AG00CZJN MDL No:
Product Description
Catalog Number:
AG00CZJN
Chemical Name:
4-[2-[2-(Methylsulfonyl)phenyl]imidazo[1,2-a]pyrimidin-3-ylmethyl]-1-piperazineethanol
CAS Number:
3458-58-0
IUPAC Name:
2-[4-[[2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]ethanol
InChI:
InChI=1S/C20H25N5O3S/c1-29(27,28)18-6-3-2-5-16(18)19-17(25-8-4-7-21-20(25)22-19)15-24-11-9-23(10-12-24)13-14-26/h2-8,26H,9-15H2,1H3
InChI Key:
JPXPOSJCHBLQLJ-UHFFFAOYSA-N
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.168g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.512g/mol
Monoisotopic Mass:
415.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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