746607-41-0
([4-(2-FLUOROPHENYL)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
Name([4-(2-FLUOROPHENYL)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
pro_formulaC19 H18 F N3 O5 S
1Identification
【Name】
([4-(2-FLUOROPHENYL)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
【CAS】
【MDL】
MFCD05273441
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H18 F N3 O5 S
【pro_molWeight】
419.431
【Inchi】
InChI=1S/C19H18FN3O5S/c1-26-14-8-11(9-15(27-2)17(14)28-3)18-21-22-19(29-10-16(24)25)23(18)13-7-5-4-6-12(13)20/h4-9H,10H2,1-3H3,(H,24,25)
【InChIKey】
InChIKey=NAKTVGRCBGRKHC-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC)OC)c2nnc(n2c3ccccc3F)SCC(=O)O
【MOL File】
([4-(2-FLUOROPHENYL)….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
([4-(2-FLUOROPHENYL)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID.cml