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

Formula:C30H24N3O4FS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC30H24N3O4FS3
SmilesO=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cc2)ccc2F)N(C(CC2)CS2(=O)=O)C1=S
InChIInChI=1S/C30H24FN3O4S3/c31-23-10-6-20(7-11-23)18-38-26-12-8-21(9-13-26)28-22(17-33(32-28)24-4-2-1-3-5-24)16-27-29(35)34(30(39)40-27)25-14-15-41(36,37)19-25/h1-13,16-17,25H,14-15,18-19H2/t25-/m1/s1
InChIKLHEINPQMRVDVTE-RUZDIDTESA-N
TotalMolweight605.734
Molweight605.734
MonoisotopicMass605.091295
CLogP3.1287
CLogS-6.85
H Acceptors7
TotalSurfaceArea428.93
Relative PSA0.27627
PolarSurfaceArea147.27
Druglikeness2.5044
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5122
Fragments1
Non HAtoms41
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond7
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms9
Symmetricatoms7
Amides1
Aromatic Nitrogens2
StereoConracemate

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