2-[(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Formula:C22H14N3O6BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide is not a drug-like molecule.

MolName	2-[(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
MolecularFormula	C22H14N3O6BrS
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=C(\C(N2CC(Nc3ccccc3)=O)=O)/SC2=O)o1)=O
InChI	InChI=1S/C22H14BrN3O6S/c23-17-10-14(26(30)31)6-8-16(17)18-9-7-15(32-18)11-19-21(28)25(22(29)33-19)12-20(27)24-13-4-2-1-3-5-13/h1-11H,12H2,(H,24,27)
InChIK	QCNHEJZNVUVTAR-UHFFFAOYSA-N
TotalMolweight	528.338
Molweight	528.338
MonoisotopicMass	526.978668
CLogP	3.2772
CLogS	-6.815
H Acceptors	9
H Donors	1
TotalSurfaceArea	342.24
Relative PSA	0.33938
PolarSurfaceArea	150.74
Druglikeness	-0.84
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide | 2 - 2-[(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

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