C23H21N5O4S

4-[4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid

Also Known As: EINECS 271-338-6|Benzenesulfonic acid, 4-[4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-|1-(4-Sulfophenyl)-3-methyl-4-(4-(bis(cyanoethyl)amino)phenylmethylene)-4,5-dihydro-5-pyrazolone|4-[(4E)-4-[[4-(bis(2-cyanoethyl)amino)phenyl]methylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid|4-[4-[[4-[BIS(2-CYANOETHYL)AMINO]PHENYL]METHYLENE]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONIC ACID|Benzenesulfonic acid, 4-(4-((4-(bis(2-cyanoethyl)amino)phenyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

Molecular Formula	C23H21N5O4S
Molecular Weight	463.13144 g/mol
LogP	3.37
Topological Polar Surface Area	137.86 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	463.13144
Heavy Atoms	33
Complexity	1266.3

Chemical Identifiers

CAS Number	68541-05-9
SMILES	CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(CCC#N)CCC#N)C3=CC=C(C=C3)S(=O)(=O)O