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

Formula:C22H13N2O4F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-(2,4-difluorophenyl)-2-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(2,4-difluorophenyl)-2-[(5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C22H13N2O4F3S
Smiles	O=C(CN(C(/C(/S1)=C/c2ccc(-c(cc3)ccc3F)o2)=O)C1=O)Nc(ccc(F)c1)c1F
InChI	InChI=1S/C22H13F3N2O4S/c23-13-3-1-12(2-4-13)18-8-6-15(31-18)10-19-21(29)27(22(30)32-19)11-20(28)26-17-7-5-14(24)9-16(17)25/h1-10H,11H2,(H,26,28)
InChIK	NZJJHDLGYPYVHY-UHFFFAOYSA-N
TotalMolweight	458.415
Molweight	458.415
MonoisotopicMass	458.054812
CLogP	3.776
CLogS	-6.463
H Acceptors	6
H Donors	1
TotalSurfaceArea	318.99
Relative PSA	0.26875
PolarSurfaceArea	104.92
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	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	2
StereoCon

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

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