913247-58-2
[4-((2-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]-1-METHYL-2-OXOETHYL)THIO)PHENYL]AMINE
Name[4-((2-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]-1-METHYL-2-OXOETHYL)THIO)PHENYL]AMINE
pro_formulaC19 H22 F N3 O S
1Identification
【Name】
[4-((2-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]-1-METHYL-2-OXOETHYL)THIO)PHENYL]AMINE
【CAS】
【MDL】
MFCD09561931
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H22 F N3 O S
【pro_molWeight】
359.467
【Inchi】
InChI=1S/C19H22FN3OS/c1-14(25-16-8-6-15(21)7-9-16)19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20/h2-9,14H,10-13,21H2,1H3
【InChIKey】
InChIKey=ZBLSOFNGDJVPQW-UHFFFAOYSA-N
【SMILES】
CC(C(=O)N1CCN(CC1)c2ccccc2F)Sc3ccc(cc3)N
【MOL File】
[4-((2-[4-(2-FLUOROP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[4-((2-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]-1-METHYL-2-OXOETHYL)THIO)PHENYL]AMINE.cml