AC1OB3AJ

4-[(1,1-dioxothiolan-3-yl)iminomethyl]-3-hydroxy-2-(2-methylphenyl)isoquinolin-1-one

Also Known As: 4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]-2-(2-methylphenyl)isoquinoline-1,3-dione|(4E)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}-2-(2-methylphenyl)isoquinoline-1,3(2H,4H)-dione|(E)-4-(((1,1-dioxidotetrahydrothiophen-3-yl)amino)methylene)-2-(o-tolyl)isoquinoline-1,3(2H,4H)-dione|4-[1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-meth-(E)-ylidene]-2-o-tolyl-4H-isoquinoline -1,3-dione

Molecular Formula	C21H20N2O4S
Molecular Weight	396.11438 g/mol
LogP	2.61072
Topological Polar Surface Area	88.73 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	396.11438
Monoisotopic Mass	396.11438
Heavy Atoms	28
Complexity	1259.126

Chemical Identifiers

CAS Number	896807-40-2
SMILES	CC1=CC=CC=C1N2C(=C(C3=CC=CC=C3C2=O)C=NC4CCS(=O)(=O)C4)O