AC1NRGGB structure

AC1NRGGB

2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Also Known As: 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione|2,2'-(sulfonyldibenzene-4,1-diyl)bis[5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione]|2,2'-[sulfonylbis(4,1-phenylene)]bis[5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione]|2,2'-[Sulfonyldi(4,1-phenylene)]bis[5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione]

CAS: 5838-65-3
Molecular Formula C44H22N4O10S
Molecular Weight 798.10565 g/mol
LogP 6.4574
Topological Polar Surface Area 195.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 12
Rotatable Bonds 6
Exact Mass 798.10565
Monoisotopic Mass 798.10565
Heavy Atoms 59
Complexity 3209.3384

Chemical Identifiers

CAS Number 5838-65-3
SMILES C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)N7C(=O)C8=C(C7=O)C=C(C=C8)C9=NC1=CC=CC=C1C(=O)O9

Product Overview

AC1NRGGB (CAS 5838-65-3), with molecular formula C44H22N4O10S and molecular weight 798.10565 g/mol. IUPAC: 2-[4-[4-[1,3-dioxo-5-(4-oxo-3,1-benzoxazin-2-yl)isoindol-2-yl]phenyl]sulfonylphenyl]-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione.

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