AC1L4LPA

1-N,4-N-bis[4-[(1-propyl-2-pyridinylidene)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonic acid)

Also Known As: Pyridinium, 2,2'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate|n,n'-bis(4-{[(2z)-1-propylpyridin-2(1h)-ylidene]carbamoyl}phenyl)benzene-1,4-dicarboxamide 4-methylbenzenesulfonate(1:2)|1-N,4-N-bis[4-[(1-propylpyridin-2-ylidene)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid

Molecular Formula	C52H52N6O10S2
Molecular Weight	984.31866 g/mol
LogP	8.57984
Topological Polar Surface Area	249.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	984.31866
Monoisotopic Mass	984.31866
Heavy Atoms	70
Complexity	1440.0

Chemical Identifiers

CAS Number	21779-63-5
SMILES	CCCN1C=CC=CC1=NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)N=C5C=CC=CN5CCC.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
InChIKey	LICYNZAFKQCOQK-UHFFFAOYSA-N