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740790-85-6 | Imidazo[1,2-a]pyrazin-3(7H)-one, 6-(4-hydroxyphenyl)-8-(phenylmethyl)-2-[[4-(sulfooxy)phenyl]methyl]-
CAS No: 740790-85-6 Catalog No: AG00FSZC MDL No:
Product Description
Catalog Number:
AG00FSZC
Chemical Name:
Imidazo[1,2-a]pyrazin-3(7H)-one, 6-(4-hydroxyphenyl)-8-(phenylmethyl)-2-[[4-(sulfooxy)phenyl]methyl]-
CAS Number:
740790-85-6
IUPAC Name:
[4-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]phenyl] hydrogen sulfate
InChI:
InChI=1S/C26H21N3O6S/c30-20-10-8-19(9-11-20)24-16-29-25(22(27-24)14-17-4-2-1-3-5-17)28-23(26(29)31)15-18-6-12-21(13-7-18)35-36(32,33)34/h1-13,16,30-31H,14-15H2,(H,32,33,34)
InChI Key:
GSTVVNNINXVNDS-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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