RefChem:377147

1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]-3-methoxyphenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)

Also Known As: Pyridinium, 3,3'-(terephthaloylbis(imino(2-methoxy-p-phenylene)carbonylimino))bis(1-ethyl-, di-p-toluenesulfonate|3,3'-{benzene-1,4-diylbis[carbonylimino(2-methoxybenzene-4,1-diyl)carbonylimino]}bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate)|1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]-3-methoxyphenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate|3,3'-{1,4-Phenylenebis[carbonylazanediyl(2-methoxy-4,1-phenylene)carbonylazanediyl]}bis(1-ethylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate)

Molecular Formula	C52H52N6O12S2
Molecular Weight	1016.3085 g/mol
LogP	7.12604
Topological Polar Surface Area	274.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	12
Exact Mass	1016.3085
Monoisotopic Mass	1016.3085
Heavy Atoms	72
Complexity	1240.0

Chemical Identifiers

CAS Number	21863-92-3
SMILES	CC[N+]1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CC)OC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChIKey	MPNFBCXTQWTVCH-UHFFFAOYSA-N