N-(2,4-difluorophenyl)-2-[(5Z)-2,4-dioxo-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide

Formula:C22H14N2O4F2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-(2,4-difluorophenyl)-2-[(5Z)-2,4-dioxo-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(2,4-difluorophenyl)-2-[(5Z)-2,4-dioxo-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C22H14N2O4F2S2
Smiles	O=C(CN(C(/C(/S1)=C/c(o2)ccc2Sc2ccccc2)=O)C1=O)Nc(ccc(F)c1)c1F
InChI	InChI=1S/C22H14F2N2O4S2/c23-13-6-8-17(16(24)10-13)25-19(27)12-26-21(28)18(32-22(26)29)11-14-7-9-20(30-14)31-15-4-2-1-3-5-15/h1-11H,12H2,(H,25,27)
InChIK	BFFBCOWJXAQVCA-UHFFFAOYSA-N
TotalMolweight	472.491
Molweight	472.491
MonoisotopicMass	472.036304
CLogP	3.8435
CLogS	-5.92
H Acceptors	6
H Donors	1
TotalSurfaceArea	330.13
Relative PSA	0.31266
PolarSurfaceArea	130.22
Druglikeness	4.6318
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

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1 - N-(2,4-difluorophenyl)-2-[(5Z)-2,4-dioxo-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide | 2 - N-(2,4-difluorophenyl)-2-[(5Z)-2,4-dioxo-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide

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