539808-59-8
N-(2,4-DIMETHYLPHENYL)-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
Name
N-(2,4-DIMETHYLPHENYL)-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
Formula
C26 H26 N4 O3 S
MolWeight
474.582
1Identification
【Name】
N-(2,4-DIMETHYLPHENYL)-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460681
【English Synonyms】
【Formula】
C26 H26 N4 O3 S
【MolWeight】
474.582
【Inchi】
InChI=1S/C26H26N4O3S/c1-18-9-14-23(19(2)15-18)27-25(31)17-34-26-29-28-24(16-33-22-7-5-4-6-8-22)30(26)20-10-12-21(32-3)13-11-20/h4-15H,16-17H2,1-3H3,(H,27,31)
【InChIKey】
InChIKey=XJKICFXLKHUHJA-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)NC(=O)CSc2nnc(n2c3ccc(cc3)OC)COc4ccccc4
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2,4-DIMETHYLPHENYL)-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml
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Catalog No:L444057-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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