260781-44-0
[3-[(ETHYLTHIO)METHYL]PHENYL][4-[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERAZINO]METHANONE
Name[3-[(ETHYLTHIO)METHYL]PHENYL][4-[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERAZINO]METHANONE
1Identification
【Name】
[3-[(ETHYLTHIO)METHYL]PHENYL][4-[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERAZINO]METHANONE
【CAS】
【MDL】
MFCD01764868
【English Synonyms】
【Formula】
C20 H22 F3 N3 O S
【MolWeight】
409.474
【Inchi】
InChI=1S/C20H22F3N3OS/c1-2-28-14-15-5-3-6-16(13-15)19(27)26-11-9-25(10-12-26)18-17(20(21,22)23)7-4-8-24-18/h3-8,13H,2,9-12,14H2,1H3
【InChIKey】
InChIKey=FSXLXSZQFGBYAP-UHFFFAOYSA-N
【SMILES】
CCSCc1cccc(c1)C(=O)N2CCN(CC2)c3c(cccn3)C(F)(F)F
【MOL File】
[3-[(ETHYLTHIO)METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[3-[(ETHYLTHIO)METHYL]PHENYL][4-[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERAZINO]METHANONE.cml