AC1L4NSE

1-N,4-N-bis[4-[(2-amino-1-methylpyrimidin-4-ylidene)amino]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonic acid)

Also Known As: Pyrimidinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(2-amino-1-methyl-, di-p-toluenesulfonate|n,n'-bis(4-{[(4e)-2-amino-1-methylpyrimidin-4(1h)-ylidene]amino}phenyl)benzene-1,4-dicarboxamide 4-methylbenzenesulfonate(1:2)|1-N,4-N-bis[4-[(2-amino-1-methylpyrimidin-4-ylidene)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid

Molecular Formula	C44H44N10O8S2
Molecular Weight	904.2785 g/mol
LogP	5.77084
Topological Polar Surface Area	292.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	904.2785
Monoisotopic Mass	904.2785
Heavy Atoms	64
Complexity	1290.0

Chemical Identifiers

CAS Number	23723-16-2
SMILES	CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=C5C=CN(C(=N5)N)C)N=C1N
InChIKey	YSKZARYUVQUCDJ-UHFFFAOYSA-N