RefChem:287795

4-[4-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid

Also Known As: EINECS 248-547-6|Benzenesulfonic acid, 4-[4-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-|4-[4-[2-(3-Ethyl-2(3H)-benzoxazolylidene)ethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid|Benzenesulfonic acid, 4-(4-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-|Benzenesulfonic acid, p-[4-[2-(3-ethyl-2-benzoxazolinylidene)ethylidene]-3-methyl-5-oxo-2-pyrazolin-1-yl]-|P-[4-[(3-ETHYL-3H-BENZOXAZOL-2-YLIDENE)ETHYLIDENE]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULFONIC ACID|4-(4-(2-(3-Ethyl-2(3H)-benzoxazolylidene)ethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid|Benzenesulfonic acid, 4-(4-(2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-|P-[4-[(3-ethyl-3H-benzoxazol-2-ylidene)ethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

Molecular Formula	C21H19N3O5S
Molecular Weight	425.10455 g/mol
LogP	3.34
Topological Polar Surface Area	99.51 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	425.10455
Heavy Atoms	30
Complexity	1213.5

Chemical Identifiers

CAS Number	27583-41-1
SMILES	CCN1C2=CC=CC=C2OC1=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C