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2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

Formula:C24H18N3O5F3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
MolName2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
MolecularFormulaC24H18N3O5F3S3
SmilesO=C(CN(c(cccc1)c1/C1=C(\C(N2C(CC3)CS3(=O)=O)=O)/SC2=S)C1=O)Nc1cc(C(F)(F)F)ccc1
InChIInChI=1S/C24H18F3N3O5S3/c25-24(26,27)13-4-3-5-14(10-13)28-18(31)11-29-17-7-2-1-6-16(17)19(21(29)32)20-22(33)30(23(36)37-20)15-8-9-38(34,35)12-15/h1-7,10,15H,8-9,11-12H2,(H,28,31)/t15-/m1/s1
InChIKUNQHJEARZKUGDP-OAHLLOKOSA-N
TotalMolweight581.615
Molweight581.615
MonoisotopicMass581.036066
CLogP1.1589
CLogS-5.327
H Acceptors8
H Donors1
TotalSurfaceArea376.53
Relative PSA0.34991
PolarSurfaceArea169.63
Druglikeness-3.3826
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.47368
Fragments1
Non HAtoms38
NonCHAtoms14
Electronegative Atoms14
StereoCenters1
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms9
Symmetricatoms3
Amides3
StereoConracemate

Request More Details | 2-[(3Z)-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide


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