RefChem:564489

4-[1-[[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]amino]-1-oxobutan-2-yl]oxy-2-pentadecylbenzenesulfonic acid

Also Known As: benzenesulfonic acid, 4-[1-[[[1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1h-pyrazol-3-yl]amino]carbonyl]propoxy]-2-pentadecyl-|Benzenesulfonic acid, 4-(1-(((1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)amino)carbonyl)propoxy)-2-pentadecyl-|4-((1-((1-(2-Chloro-4,6-dimethylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)amino)-1-oxobutan-2-yl)oxy)-2-pentadecylbenzenesulfonic acid|4-[1-[[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]amino]-1-oxobutan-2-yl]oxy-2-pentadecylbenzenesulfonic acid|4-(1-{[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]carbamoyl}propoxy)-2-pentadecylbenzene-1-sulfonic acid|4-[(1-{[1-(2-Chloro-4,6-dimethylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]amino}-1-oxobutan-2-yl)oxy]-2-pentadecylbenzene-1-sulfonic acid|4-[1-[[[[1- -4,5-dihydro-5-oxo-1H-pyrazol]-3-yl]amino]carbonyl]propoxy]-2-pentadecylbenzenesulfonicacid|4-[1-[[[[1-(2-Chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol]-3-yl]amino]carbonyl]propoxy]-2-pentadecylbenzenesulfonic acid|4-[1-[[1-(2-chloro-4,6-dimethyl-phenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]propoxy]-2-pentadecyl-benzenesulfonic acid

Molecular Formula	C36H52ClN3O6S
Molecular Weight	689.32654 g/mol
LogP	8.86
Topological Polar Surface Area	125.37 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	20
Exact Mass	689.32654
Heavy Atoms	47
Complexity	1470.5

Chemical Identifiers

CAS Number	63181-82-8
SMILES	CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(CC)C(=O)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)C)C)S(=O)(=O)O