LU 5-069 oxalate

3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-methylazanium;2-hydroxy-2-oxoacetate

Also Known As: LU 5-069 oxalate|AC1L1RNI|RefChem:326323|1,3-Dihydro-1-phenyl-N,3,3-trimethylbenzo(c)thiophene-1-propylamine 2,2-dioxide oxalate|Benzo(c)thiophene-1-propylamine, 1,3-dihydro-1-phenyl-N,3,3-trimethyl-, 2,2-dioxide, oxalate|3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-methylazanium;2-hydroxy-2-oxoacetate|3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-methylazanium; 2-hydroxy-2-oxoacetate

Molecular Formula	C22H27NO6S
Molecular Weight	433.1559 g/mol
LogP	0.39
Topological Polar Surface Area	128.18 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	433.1559
Heavy Atoms	30
Complexity	1004.9

Chemical Identifiers

CAS Number	29140-43-0
SMILES	CC1(C2=CC=CC=C2C(S1(=O)=O)(CCC[NH2+]C)C3=CC=CC=C3)C.C(=O)(C(=O)[O-])O