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4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide

Formula:C25H19N3O2ClF3S3 Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide is not a drug-like molecule.
MolName4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
MolecularFormulaC25H19N3O2ClF3S3
SmilesO=C(CCCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)Nc1ncc(Cc2cc(C(F)(F)F)ccc2)s1
InChIInChI=1S/C25H19ClF3N3O2S3/c26-19-8-2-1-6-16(19)13-20-22(34)32(24(35)37-20)10-4-9-21(33)31-23-30-14-18(36-23)12-15-5-3-7-17(11-15)25(27,28)29/h1-3,5-8,11,13-14H,4,9-10,12H2,(H,30,31,33)
InChIKMACDDMIUBMERTI-UHFFFAOYSA-N
TotalMolweight582.09
Molweight582.09
MonoisotopicMass581.027998
CLogP6.076
CLogS-8.02
H Acceptors5
H Donors1
TotalSurfaceArea406.07
Relative PSA0.29037
PolarSurfaceArea147.93
Druglikeness-2.8667
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! thiazol-2-ylamine
Shape Index0.59459
Fragments1
Non HAtoms37
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms7
Symmetricatoms2
Amides2
Aromatic Nitrogens1
StereoCon

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