RefChem:279064

4-[4-[3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)prop-1-enyl]-3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid

Also Known As: EINECS 271-339-1|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1-propenyl]-, 3-ethyl ester|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-(3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1-propen-1-yl)-, 3-ethyl ester|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-(3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1-propenyl)-, 3-ethyl ester|1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1-propen-1-yl]-, 3-ethyl ester|3-Carboxylic acid-4-(3-(1,3-dimethyl-2,4,6-(1H,3H,5H)-pyrimidinetrione-5-ylidene)-1-propenyl)-4,5-dihydo-5-oxo-1-(4-sulfophenyl)-pyrazole, 3-ethyl ester|3-Carboxylic acid-4-(3-(1,3-dimethyl-2,4,6-(1H,3H,5H)-pyrimidinetrione-5-ylidene)-1-propenyl)-4,5-dihydo-5-oxo-1-(4-sulfophenyl)-pyrazole, 3-ethylester|3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-(3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1-propen-1-yl)-1H-pyrazole-3-carboxylate|3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1-propen-1-yl]-1H-pyrazole-3-carboxylate|3-ethyl 4,5-dihydro-5-oxo-1-(4-sulphophenyl)-4-[3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)prop-1-enyl]-1H-pyrazole-3-carboxylate|4-{4-[3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)prop-1-en-1-yl]-3-(ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid

Molecular Formula	C21H20N4O9S
Molecular Weight	504.0951 g/mol
LogP	0.35
Topological Polar Surface Area	171.03 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	504.0951
Heavy Atoms	35
Complexity	1286.5

Chemical Identifiers

CAS Number	68541-06-0
SMILES	CCOC(=O)C1=NN(C(=O)C1C=CC=C2C(=O)N(C(=O)N(C2=O)C)C)C3=CC=C(C=C3)S(=O)(=O)O