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3-[(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]propanamide

Formula:C24H17N3O2ClF3S3 Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[(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]propanamide is not a drug-like molecule.
MolName3-[(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]propanamide
MolecularFormulaC24H17N3O2ClF3S3
SmilesO=C(CCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)Nc1ncc(Cc2cc(C(F)(F)F)ccc2)s1
InChIInChI=1S/C24H17ClF3N3O2S3/c25-18-7-2-1-5-15(18)12-19-21(33)31(23(34)36-19)9-8-20(32)30-22-29-13-17(35-22)11-14-4-3-6-16(10-14)24(26,27)28/h1-7,10,12-13H,8-9,11H2,(H,29,30,32)
InChIKYDYFTSNYAWGXGG-UHFFFAOYSA-N
TotalMolweight568.063
Molweight568.063
MonoisotopicMass567.012348
CLogP5.6216
CLogS-7.75
H Acceptors5
H Donors1
TotalSurfaceArea392.31
Relative PSA0.30055
PolarSurfaceArea147.93
Druglikeness-1.9289
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! thiazol-2-ylamine
Shape Index0.58333
Fragments1
Non HAtoms36
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms6
Symmetricatoms2
Amides2
Aromatic Nitrogens1
StereoCon

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