949931-38-8
METHANONE, [(2S)-5-(4-CHLOROPHENYL)-2-(2,3-DIMETHOXYPHENYL)-1,3,4-THIADIAZOL-3(2H)-YL](2,4,6-TRIFLUOROPHENYL)-
NameMETHANONE, [(2S)-5-(4-CHLOROPHENYL)-2-(2,3-DIMETHOXYPHENYL)-1,3,4-THIADIAZOL-3(2H)-YL](2,4,6-TRIFLUOROPHENYL)-
pro_formulaC23 H16 Cl F3 N2 O3 S
1Identification
【Name】
METHANONE, [(2S)-5-(4-CHLOROPHENYL)-2-(2,3-DIMETHOXYPHENYL)-1,3,4-THIADIAZOL-3(2H)-YL](2,4,6-TRIFLUOROPHENYL)-
【CAS】
【MDL】
MFCD18206806
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C23 H16 Cl F3 N2 O3 S
【pro_molWeight】
492.903
【Inchi】
InChI=1S/C23H16ClF3N2O3S/c1-31-18-5-3-4-15(20(18)32-2)23-29(22(30)19-16(26)10-14(25)11-17(19)27)28-21(33-23)12-6-8-13(24)9-7-12/h3-11,23H,1-2H3/t23-/m0/s1
【InChIKey】
InChIKey=LORGBPUOJISMFM-QHCPKHFHSA-N
【SMILES】
COc1cccc(c1OC)[C@H]2N(N=C(S2)c3ccc(cc3)Cl)C(=O)c4c(cc(cc4F)F)F
【MOL File】
METHANONE, [(2S)-5-(….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
METHANONE, [(2S)-5-(4-CHLOROPHENYL)-2-(2,3-DIMETHOXYPHENYL)-1,3,4-THIADIAZOL-3(2H)-YL](2,4,6-TRIFLUOROPHENYL)-.cml