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

Formula:C23H19N3O5S3 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-phenylacetamide 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-phenylacetamide
MolecularFormulaC23H19N3O5S3
SmilesO=C(CN(c(cccc1)c1/C1=C(\C(N2C(CC3)CS3(=O)=O)=O)/SC2=S)C1=O)Nc1ccccc1
InChIInChI=1S/C23H19N3O5S3/c27-18(24-14-6-2-1-3-7-14)12-25-17-9-5-4-8-16(17)19(21(25)28)20-22(29)26(23(32)33-20)15-10-11-34(30,31)13-15/h1-9,15H,10-13H2,(H,24,27)/t15-/m1/s1
InChIKGVMLZOXOXMBDNT-OAHLLOKOSA-N
TotalMolweight513.618
Molweight513.618
MonoisotopicMass513.048682
CLogP0.3106
CLogS-4.549
H Acceptors8
H Donors1
TotalSurfaceArea347.07
Relative PSA0.37961
PolarSurfaceArea169.63
Druglikeness1.8282
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms11
Electronegative Atoms11
StereoCenters1
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms3
Amides3
StereoConracemate

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