Bayer 1694

methyl sulfate;1-[4-(3-methyltriazol-3-ium-1-yl)phenyl]-3-[4-[[4-(3-methyltriazol-3-ium-1-yl)phenyl]carbamoylamino]phenyl]urea

Also Known As: Bayer 1694|BAY b 1694|BAY d 7502|KST-1B7214|1H-1,2,3-Triazolium, 1,1'-(p-phenylenebis(ureylene-p-phenylene))bis(3-methyl-, bis(methyl sulfate)|Bis(3-methyl-1,2,3-triazolyl-1-yl-4-aminophenyl)diurea-2-methylsulfate|1,1'-[benzene-1,4-diylbis(carbamoyliminobenzene-4,1-diyl)]bis(3-methyl-1h-1,2,3-triazol-3-ium) bis(methyl sulfate)|1,1'-[1,4-Phenylenebis(carbamoylazanediyl-4,1-phenylene)]bis(3-methyl-1H-1,2,3-triazol-3-ium) bis(methyl sulfate)|methyl sulfate; 1-[4-(3-methyltriazol-3-ium-1-yl)phenyl]-3-[4-[[4-(3-methyltriazol-3-ium-1-yl)phenyl]carbamoylamino]phenyl]urea

Molecular Formula	C28H32N10O10S2
Molecular Weight	732.17444 g/mol
LogP	1.181
Topological Polar Surface Area	275.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	732.17444
Monoisotopic Mass	732.17444
Heavy Atoms	50
Complexity	805.0

Chemical Identifiers

CAS Number	67013-99-4
SMILES	C[N+]1=NN(C=C1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)N5C=C[N+](=N5)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]
InChIKey	JKVMXBWUUDSQOQ-UHFFFAOYSA-N