N-(4-bromophenyl)-2-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Formula:C18H13N2O5BrS Mutagenic:none Tumorigenic:high Reproductive Effective:none N-(4-bromophenyl)-2-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.

MolName	N-(4-bromophenyl)-2-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
MolecularFormula	C18H13N2O5BrS
Smiles	Oc(ccc(/C=C(\C(N1CC(Nc(cc2)ccc2Br)=O)=O)/SC1=O)c1)c1O
InChI	InChI=1S/C18H13BrN2O5S/c19-11-2-4-12(5-3-11)20-16(24)9-21-17(25)15(27-18(21)26)8-10-1-6-13(22)14(23)7-10/h1-8,22-23H,9H2,(H,20,24)
InChIK	IAEOGNUPLFWJQI-UHFFFAOYSA-N
TotalMolweight	449.28
Molweight	449.28
MonoisotopicMass	447.972854
CLogP	2.5685
CLogS	-4.303
H Acceptors	7
H Donors	3
TotalSurfaceArea	281.82
Relative PSA	0.3471
PolarSurfaceArea	132.24
Druglikeness	3.3833
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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1 - N-(4-bromophenyl)-2-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide | 2 - N-(4-bromophenyl)-2-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

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