(2Z)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one

Formula:C21H14N2O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(2Z)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-2-(1,3-benzothiazol-2-ylmethylidene)-1,3-thiazolidin-4-one
MolecularFormulaC21H14N2O3S2
SmilesO=C(CN(C(CS1)=O)/C1=C/c1nc(cccc2)c2s1)c1cc(cccc2)c2o1
InChIInChI=1S/C21H14N2O3S2/c24-15(17-9-13-5-1-3-7-16(13)26-17)11-23-20(25)12-27-21(23)10-19-22-14-6-2-4-8-18(14)28-19/h1-10H,11-12H2
InChIKWFZVHUZWMYAIDA-UHFFFAOYSA-N
TotalMolweight406.485
Molweight406.485
MonoisotopicMass406.044583
CLogP3.4569
CLogS-5.683
H Acceptors5
TotalSurfaceArea288.63
Relative PSA0.32069
PolarSurfaceArea116.95
Druglikeness5.4152
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.53571
Fragments1
Non HAtoms28
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms18
Sp3Atoms3
Amides1
Aromatic Nitrogens1
StereoCon

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