765285-05-0
2-((4-(((E)-(2-HYDROXYPHENYL)METHYLIDENE)AMINO)PHENYL)SULFANYL)-N-(4-(TRIFLUOROMETHOXY)PHENYL)ACETAMIDE
Name2-((4-(((E)-(2-HYDROXYPHENYL)METHYLIDENE)AMINO)PHENYL)SULFANYL)-N-(4-(TRIFLUOROMETHOXY)PHENYL)ACETAMIDE
pro_formulaC22 H17 F3 N2 O3 S
1Identification
【Name】
2-((4-(((E)-(2-HYDROXYPHENYL)METHYLIDENE)AMINO)PHENYL)SULFANYL)-N-(4-(TRIFLUOROMETHOXY)PHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05155031
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H17 F3 N2 O3 S
【pro_molWeight】
446.447
【Inchi】
InChI=1S/C22H17F3N2O3S/c23-22(24,25)30-18-9-5-17(6-10-18)27-21(29)14-31-19-11-7-16(8-12-19)26-13-15-3-1-2-4-20(15)28/h1-13,28H,14H2,(H,27,29)/b26-13+
【InChIKey】
InChIKey=BLYFWSRLWCELBW-LGJNPRDNSA-N
【SMILES】
c1ccc(c(c1)/C=N/c2ccc(cc2)SCC(=O)Nc3ccc(cc3)OC(F)(F)F)O
【MOL File】
2-((4-(((E)-(2-HYDRO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-((4-(((E)-(2-HYDROXYPHENYL)METHYLIDENE)AMINO)PHENYL)SULFANYL)-N-(4-(TRIFLUOROMETHOXY)PHENYL)ACETAMIDE.cml