539809-70-6
N-(2,3-DICHLOROPHENYL)-2-([4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
NameN-(2,3-DICHLOROPHENYL)-2-([4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
pro_formulaC26 H24 Cl2 N4 O2 S
1Identification
【Name】
N-(2,3-DICHLOROPHENYL)-2-([4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460801
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H24 Cl2 N4 O2 S
【pro_molWeight】
527.474
【Inchi】
InChI=1S/C26H24Cl2N4O2S/c1-2-7-18-12-14-20(15-13-18)34-16-23-30-31-26(32(23)19-8-4-3-5-9-19)35-17-24(33)29-22-11-6-10-21(27)25(22)28/h3-6,8-15H,2,7,16-17H2,1H3,(H,29,33)
【InChIKey】
InChIKey=FJLOCKMDFILFLT-UHFFFAOYSA-N
【SMILES】
CCCc1ccc(cc1)OCc2nnc(n2c3ccccc3)SCC(=O)Nc4cccc(c4Cl)Cl
【MOL File】
N-(2,3-DICHLOROPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,3-DICHLOROPHENYL)-2-([4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE.cml