573972-53-9
N-(3,4-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(3,4-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(3,4-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04023135
【English Synonyms】
【Formula】
C16 H14 F2 N6 O S
【MolWeight】
376.39
【Inchi】
InChI=1S/C16H14F2N6OS/c1-2-24-15(13-8-19-5-6-20-13)22-23-16(24)26-9-14(25)21-10-3-4-11(17)12(18)7-10/h3-8H,2,9H2,1H3,(H,21,25)
【InChIKey】
InChIKey=OGLINIWVAJOCLU-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)F)F)c3cnccn3
【MOL File】
N-(3,4-DIFLUOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3,4-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml