539810-72-5
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
Name
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
pro_formula
C24 H18 F3 N7 O S
pro_molWeight
509.514
1Identification
【Name】
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD05154905
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H18 F3 N7 O S
【pro_molWeight】
509.514
【Inchi】
InChI=1S/C24H18F3N7OS/c25-24(26,27)16-7-6-8-17(13-16)28-22(35)15-36-23-31-30-21(34(23)18-9-2-1-3-10-18)14-33-20-12-5-4-11-19(20)29-32-33/h1-13H,14-15H2,(H,28,35)
【InChIKey】
InChIKey=VWPBVMQTQUSAAW-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(nnc2SCC(=O)Nc3cccc(c3)C(F)(F)F)Cn4c5ccccc5nn4
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE.cml
quick_release
SuppliersList
Sigma-Aldrich Corporation
pro_catalogNo:L444790-1EA 10MG
CountryRegion:US
BusinessType:ReagentCompany
http://www.sigma-aldrich.com
More 539810-72-5 select_supply>>
pro_catalogNo:L444790-1EA 10MG
CountryRegion:US
BusinessType:ReagentCompany
http://www.sigma-aldrich.com
More 539810-72-5 select_supply>>