539809-10-4
N-(2,3-DIMETHYLPHENYL)-2-([4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
NameN-(2,3-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-(2,3-DIMETHYLPHENYL)-2-([4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460726
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C28 H30 N4 O2 S
【pro_molWeight】
486.637
【Inchi】
InChI=1S/C28H30N4O2S/c1-4-9-22-14-16-24(17-15-22)34-18-26-30-31-28(32(26)23-11-6-5-7-12-23)35-19-27(33)29-25-13-8-10-20(2)21(25)3/h5-8,10-17H,4,9,18-19H2,1-3H3,(H,29,33)
【InChIKey】
InChIKey=UKYIUCYXQWFUCE-UHFFFAOYSA-N
【SMILES】
CCCc1ccc(cc1)OCc2nnc(n2c3ccccc3)SCC(=O)Nc4cccc(c4C)C
【MOL File】
N-(2,3-DIMETHYLPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,3-DIMETHYLPHENYL)-2-([4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE.cml