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6-[(5Z)-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Formula:C32H27N3O4Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(5Z)-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is not a drug-like molecule.
MolName6-[(5Z)-5-[[3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
MolecularFormulaC32H27N3O4Cl2S2
SmilesOC(CCCCCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(ccc(Cl)c2)c2Cl)=O)C1=S)=O
InChIInChI=1S/C32H27Cl2N3O4S2/c33-24-13-10-22(27(34)18-24)20-41-26-14-11-21(12-15-26)30-23(19-37(35-30)25-7-3-1-4-8-25)17-28-31(40)36(32(42)43-28)16-6-2-5-9-29(38)39/h1,3-4,7-8,10-15,17-19H,2,5-6,9,16,20H2,(H,38,39)
InChIKPXRRRGSVIJGRRV-UHFFFAOYSA-N
TotalMolweight652.621
Molweight652.621
MonoisotopicMass651.082001
CLogP5.8238
CLogS-8.319
H Acceptors7
H Donors1
TotalSurfaceArea477.46
Relative PSA0.24308
PolarSurfaceArea142.05
Druglikeness-3.6957
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55814
Fragments1
Non HAtoms43
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond12
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms10
Symmetricatoms4
Amides1
Aromatic Nitrogens2
AcidicOxygens1
StereoCon

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