2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylacetamide

Formula:C18H14N2O2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylacetamide is a drug-like molecule.

MolName2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylacetamide
MolecularFormulaC18H14N2O2S2
SmilesO=C(CN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)Nc1ccccc1
InChIInChI=1S/C18H14N2O2S2/c21-16(19-14-9-5-2-6-10-14)12-20-17(22)15(24-18(20)23)11-13-7-3-1-4-8-13/h1-11H,12H2,(H,19,21)
InChIKXPCWKFDOJXZXJC-UHFFFAOYSA-N
TotalMolweight354.453
Molweight354.453
MonoisotopicMass354.049668
CLogP2.1895
CLogS-4.412
H Acceptors4
H Donors1
TotalSurfaceArea265.45
Relative PSA0.32616
PolarSurfaceArea106.8
Druglikeness4.7741
Mutagenichigh
Tumorigenichigh
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.625
Fragments1
Non HAtoms24
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms4
Amides2
StereoCon

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