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N-[2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

Formula:C25H23N3O5F4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is not a drug-like molecule.
MolNameN-[2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
MolecularFormulaC25H23N3O5F4S2
SmilesO=C(C(CC1)CCN1S(c1cc(C(F)(F)F)ccc1)(=O)=O)NCCN(C(/C(/S1)=C\c(cc2)ccc2F)=O)C1=O
InChIInChI=1S/C25H23F4N3O5S2/c26-19-6-4-16(5-7-19)14-21-23(34)32(24(35)38-21)13-10-30-22(33)17-8-11-31(12-9-17)39(36,37)20-3-1-2-18(15-20)25(27,28)29/h1-7,14-15,17H,8-13H2,(H,30,33)
InChIKXKVCIRMGHWCIMP-UHFFFAOYSA-N
TotalMolweight585.598
Molweight585.598
MonoisotopicMass585.101524
CLogP3.3399
CLogS-4.833
H Acceptors8
H Donors1
TotalSurfaceArea392.98
Relative PSA0.26401
PolarSurfaceArea137.54
Druglikeness-1.6488
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.58974
Fragments1
Non HAtoms39
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms7
Amides3
StereoCon

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