539808-90-7
2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ETHOXY-2-NITROPHENYL)ACETAMIDE
Name
2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ETHOXY-2-NITROPHENYL)ACETAMIDE
Formula
C27 H27 N5 O5 S
MolWeight
533.606
1Identification
【Name】
2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ETHOXY-2-NITROPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460710
【English Synonyms】
【Formula】
C27 H27 N5 O5 S
【MolWeight】
533.606
【Inchi】
InChI=1S/C27H27N5O5S/c1-4-36-21-11-12-22(24(15-21)32(34)35)28-26(33)17-38-27-30-29-25(16-37-20-8-6-5-7-9-20)31(27)23-13-10-18(2)14-19(23)3/h5-15H,4,16-17H2,1-3H3,(H,28,33)
【InChIKey】
InChIKey=DBVGYHOREQEZAF-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc2nnc(n2c3ccc(cc3C)C)COc4ccccc4
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ETHOXY-2-NITROPHENYL)ACETAMIDE.cml
Quick Release
TOP Suppliers
Sigma-Aldrich Corporation
Catalog No:L444235-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 539808-90-7 Suppliers>>
Catalog No:L444235-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 539808-90-7 Suppliers>>