577766-41-7
N-(2-BROMO-4,6-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2-BROMO-4,6-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC17 H14 Br F2 N5 O S
1Identification
【Name】
N-(2-BROMO-4,6-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04018895
【English Synonyms】
【Formula】
C17 H14 Br F2 N5 O S
【MolWeight】
454.298
【Inchi】
InChI=1S/C17H14BrF2N5OS/c1-2-25-16(10-3-5-21-6-4-10)23-24-17(25)27-9-14(26)22-15-12(18)7-11(19)8-13(15)20/h3-8H,2,9H2,1H3,(H,22,26)
【InChIKey】
InChIKey=FTHUWCZLLWKEEY-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2c(cc(cc2Br)F)F)c3ccncc3
【MOL File】
N-(2-BROMO-4,6-DIFLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-BROMO-4,6-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml