585557-82-0
N-(2,4-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,4-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(2,4-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04028326
【English Synonyms】
【Formula】
C17 H15 F2 N5 O S
【MolWeight】
375.401
【Inchi】
InChI=1S/C17H15F2N5OS/c1-2-24-16(14-5-3-4-8-20-14)22-23-17(24)26-10-15(25)21-13-7-6-11(18)9-12(13)19/h3-9H,2,10H2,1H3,(H,21,25)
【InChIKey】
InChIKey=SPGFCSVKNQSEJV-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2F)F)c3ccccn3
【MOL File】
N-(2,4-DIFLUOROPHENY….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-(2,4-DIFLUOROPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml