(5E)-5-[(E)-3-(4-chlorophenyl)-5-oxo-1,5-diphenylpent-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C26H18NO2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (5E)-5-[(E)-3-(4-chlorophenyl)-5-oxo-1,5-diphenylpent-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(5E)-5-[(E)-3-(4-chlorophenyl)-5-oxo-1,5-diphenylpent-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC26H18NO2ClS2
SmilesO=C(C/C(/c(cc1)ccc1Cl)=C\C(\c1ccccc1)=C(\C(N1)=O)/SC1=S)c1ccccc1
InChIInChI=1S/C26H18ClNO2S2/c27-21-13-11-17(12-14-21)20(16-23(29)19-9-5-2-6-10-19)15-22(18-7-3-1-4-8-18)24-25(30)28-26(31)32-24/h1-15H,16H2,(H,28,30,31)
InChIKCRSZQINWTRBXRQ-UHFFFAOYSA-N
TotalMolweight476.019
Molweight476.019
MonoisotopicMass475.046746
CLogP4.972
CLogS-6.82
H Acceptors3
H Donors1
TotalSurfaceArea353.25
Relative PSA0.23505
PolarSurfaceArea103.56
Druglikeness2.9814
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.40625
Fragments1
Non HAtoms32
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms6
Amides1
StereoCon

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