623935-29-5
(5Z)-3-(1,3-BENZODIOXOL-5-YLMETHYL)-5-[[3-(4-BUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE]-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Name
(5Z)-3-(1,3-BENZODIOXOL-5-YLMETHYL)-5-[[3-(4-BUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE]-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
pro_formula
C31 H27 N3 O4 S2
pro_molWeight
569.703
1Identification
【Name】
(5Z)-3-(1,3-BENZODIOXOL-5-YLMETHYL)-5-[[3-(4-BUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE]-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
【CAS】
【MDL】
MFCD03213171
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C31 H27 N3 O4 S2
【pro_molWeight】
569.703
【Inchi】
InChI=1S/C31H27N3O4S2/c1-2-3-15-36-25-12-10-22(11-13-25)29-23(19-34(32-29)24-7-5-4-6-8-24)17-28-30(35)33(31(39)40-28)18-21-9-14-26-27(16-21)38-20-37-26/h4-14,16-17,19H,2-3,15,18,20H2,1H3/b28-17-
【InChIKey】
InChIKey=URKOPHAVGVPHRW-QRQIAZFYSA-N
【SMILES】
CCCCOc1ccc(cc1)c2c(cn(n2)c3ccccc3)/C=C\4/C(=O)N(C(=S)S4)Cc5ccc6c(c5)OCO6
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(5Z)-3-(1,3-BENZODIOXOL-5-YLMETHYL)-5-[[3-(4-BUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE]-2-THIOXO-1,3-THIAZOLIDIN-4-ONE.cml
quick_release
SuppliersList
Sigma-Aldrich Corporation
pro_catalogNo:L433500-1EA 10MG
CountryRegion:US
BusinessType:ReagentCompany
http://www.sigma-aldrich.com
More 623935-29-5 select_supply>>
pro_catalogNo:L433500-1EA 10MG
CountryRegion:US
BusinessType:ReagentCompany
http://www.sigma-aldrich.com
More 623935-29-5 select_supply>>