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Home > Imidazoles > 742049-96-3
742049-96-3 | Imidazo[1,2-a]pyrazin-3(7H)-one, 2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-6-[4-(sulfooxy)phenyl]-
CAS No: 742049-96-3 Catalog No: AG00FT0S MDL No:
Product Description
Catalog Number:
AG00FT0S
Chemical Name:
Imidazo[1,2-a]pyrazin-3(7H)-one, 2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-6-[4-(sulfooxy)phenyl]-
CAS Number:
742049-96-3
IUPAC Name:
[4-[8-benzyl-3-hydroxy-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl] hydrogen sulfate
InChI:
InChI=1S/C26H21N3O6S/c30-20-10-6-18(7-11-20)15-23-26(31)29-16-24(19-8-12-21(13-9-19)35-36(32,33)34)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2,(H,32,33,34)
InChI Key:
JRIGERQSUQQAQH-UHFFFAOYSA-N
Properties
Complexity:
803
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.115g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
503.529g/mol
Monoisotopic Mass:
503.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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