539809-27-3
N-(2,4-DIMETHYLPHENYL)-2-([4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
NameN-(2,4-DIMETHYLPHENYL)-2-([4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
pro_formulaC28 H30 N4 O2 S
1Identification
【Name】
N-(2,4-DIMETHYLPHENYL)-2-([4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460743
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C28 H30 N4 O2 S
【pro_molWeight】
486.637
【Inchi】
InChI=1S/C28H30N4O2S/c1-4-8-22-12-14-24(15-13-22)34-18-26-30-31-28(32(26)23-9-6-5-7-10-23)35-19-27(33)29-25-16-11-20(2)17-21(25)3/h5-7,9-17H,4,8,18-19H2,1-3H3,(H,29,33)
【InChIKey】
InChIKey=BOSVFYOFIBQXGR-UHFFFAOYSA-N
【SMILES】
CCCc1ccc(cc1)OCc2nnc(n2c3ccccc3)SCC(=O)Nc4ccc(cc4C)C
【MOL File】
N-(2,4-DIMETHYLPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,4-DIMETHYLPHENYL)-2-([4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE.cml