190653-59-9
(5E)-5-(4-BROMOBENZYLIDENE)-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Name(5E)-5-(4-BROMOBENZYLIDENE)-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
FormulaC21 H16 Br N3 O2 S2
1Identification
【Name】
(5E)-5-(4-BROMOBENZYLIDENE)-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
【CAS】
【MDL】
MFCD00703664
【English Synonyms】
【Formula】
C21 H16 Br N3 O2 S2
【MolWeight】
486.412
【Inchi】
InChI=1S/C21H16BrN3O2S2/c1-13-18(20(27)25(23(13)2)16-6-4-3-5-7-16)24-19(26)17(29-21(24)28)12-14-8-10-15(22)11-9-14/h3-12H,1-2H3/b17-12+
【InChIKey】
InChIKey=AANHEBGVSCOHTO-SFQUDFHCSA-N
【SMILES】
Cc1c(c(=O)n(n1C)c2ccccc2)N3C(=O)/C(=C\c4ccc(cc4)Br)/SC3=S
【MOL File】
(5E)-5-(4-BROMOBENZY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5E)-5-(4-BROMOBENZYLIDENE)-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE.cml