538337-09-6
2-([4-BENZYL-5-[(4-BROMOPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-ETHOXY-2-NITROPHENYL)ACETAMIDE
Name
2-([4-BENZYL-5-[(4-BROMOPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-ETHOXY-2-NITROPHENYL)ACETAMIDE
Formula
C26 H24 Br N5 O5 S
MolWeight
598.476
1Identification
【Name】
2-([4-BENZYL-5-[(4-BROMOPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-ETHOXY-2-NITROPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154825
【English Synonyms】
【Formula】
C26 H24 Br N5 O5 S
【MolWeight】
598.476
【Inchi】
InChI=1S/C26H24BrN5O5S/c1-2-36-21-12-13-22(23(14-21)32(34)35)28-25(33)17-38-26-30-29-24(16-37-20-10-8-19(27)9-11-20)31(26)15-18-6-4-3-5-7-18/h3-14H,2,15-17H2,1H3,(H,28,33)
【InChIKey】
InChIKey=IGATVVSCXINPPU-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc2nnc(n2Cc3ccccc3)COc4ccc(cc4)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([4-BENZYL-5-[(4-BROMOPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-ETHOXY-2-NITROPHENYL)ACETAMIDE.cml
Quick Release
TOP Suppliers
Sigma-Aldrich Corporation
Catalog No:L442690-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 538337-09-6 Suppliers>>
Catalog No:L442690-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 538337-09-6 Suppliers>>