585563-26-4
N-(2,6-DIBROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,6-DIBROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC18 H17 Br2 N5 O S
1Identification
【Name】
N-(2,6-DIBROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04030813
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H17 Br2 N5 O S
【pro_molWeight】
511.24
【Inchi】
InChI=1S/C18H17Br2N5OS/c1-3-25-17(12-5-4-6-21-9-12)23-24-18(25)27-10-15(26)22-16-13(19)7-11(2)8-14(16)20/h4-9H,3,10H2,1-2H3,(H,22,26)
【InChIKey】
InChIKey=JJTZJAVNFGYODC-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2c(cc(cc2Br)C)Br)c3cccnc3
【MOL File】
N-(2,6-DIBROMO-4-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,6-DIBROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml