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GFQ

Summary
Name:4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Formula:C19 H23 F3 N2 O S
Formal charge:0
Formula weight:384.459 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H23F3N2OS/c1-13(2)4-3-5-17-24-16(12-26-17)14-6-8-15(9-7-14)18(25)23-11-10-19(20,21)22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)
InChIKeyInChI1.03KTLILWGHLTVHAZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)CCCc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
SMILESCACTVS3.385CC(C)CCCc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F
SMILESOpenEye OEToolkits2.0.6CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F

223166

건을2024-07-31부터공개중

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