RefChem:530063

5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid

Also Known As: EINECS 247-390-0|5-(4,5-Dihydro-5-oxo-3-((1-oxooctadecyl)amino)-1H-pyrazol-1-yl)-2-phenoxybenzenesulphonic acid|5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid|AG-690/12765457|I05-2782|IRIDIUMIPENTANEDIONATE-CYCLO-OCTADIENECOMPLEX|5-[4,5-Dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid|1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one|3-Stearoylamino-1-<3-sulfo-4-phenoxy-phenyl>-pyrazolon-(5)|5-(3-octadecanamido-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid|5-(5-Oxo-3-stearamido-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid|5-[3-(octadecanoylamino)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid|1-(3-SULFO-4-PHENOXY)-PHENYL-3-OCTADECANAMIDO-PYRAZOLINE-5- ONE|5-[4,5-dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulphonic acid|5-[3-(octadecanoylamino)-5-oxo(2-pyrazolinyl)]-2-phenoxybenzenesulfonic acid|247-390-0|5-[[4,5-Dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol]-1-yl]-2-phenoxybenzenesulfonic acid|5-[4,5-DIHYDRO-5-OXO-3-[(1-OXOOCTADECYL)AMINO]-1H-PYRAZOL-1-YL]-2-PHENOXY-BENZENESULFONIC ACID

Molecular Formula	C33H47N3O6S
Molecular Weight	613.31854 g/mol
LogP	8.15
Topological Polar Surface Area	125.37 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	20
Exact Mass	613.31854
Heavy Atoms	43
Complexity	1297.0

Chemical Identifiers

CAS Number	25985-53-9
SMILES	CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O