(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one

Formula:C25H16N3OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one is a drug-like molecule.

MolName(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
MolecularFormulaC25H16N3OClS2
SmilesO=C(N(C1=S)c2ccccc2)S/C1=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl
InChIInChI=1S/C25H16ClN3OS2/c26-19-13-11-17(12-14-19)23-18(16-28(27-23)20-7-3-1-4-8-20)15-22-24(31)29(25(30)32-22)21-9-5-2-6-10-21/h1-16H
InChIKRPZNYTGGSPSZFU-UHFFFAOYSA-N
TotalMolweight474.007
Molweight474.007
MonoisotopicMass473.042329
CLogP4.9819
CLogS-7.818
H Acceptors4
TotalSurfaceArea345.38
Relative PSA0.2314
PolarSurfaceArea95.52
Druglikeness4.5364
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.46875
Fragments1
Non HAtoms32
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms2
Symmetricatoms6
Amides1
Aromatic Nitrogens2
StereoCon

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