587010-29-5
N-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04033330
【English Synonyms】
【Formula】
C18 H14 F6 N6 O S
【MolWeight】
476.404
【Inchi】
InChI=1S/C18H14F6N6OS/c1-2-30-15(13-8-25-3-4-26-13)28-29-16(30)32-9-14(31)27-12-6-10(17(19,20)21)5-11(7-12)18(22,23)24/h3-8H,2,9H2,1H3,(H,27,31)
【InChIKey】
InChIKey=OJUKAJYRVPIZAV-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cnccn3
【MOL File】
N-[3,5-BIS(TRIFLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml