2-[(5Z)-5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

Formula:C21H15N4O5BrS3 Mutagenic:none Tumorigenic:low Reproductive Effective:low 2-[(5Z)-5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is not a drug-like molecule.

MolName	2-[(5Z)-5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
MolecularFormula	C21H15N4O5BrS3
Smiles	O=C(CN(C(/C(/S1)=C/c(cc2)ccc2Br)=O)C1=O)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O
InChI	InChI=1S/C21H15BrN4O5S3/c22-14-3-1-13(2-4-14)11-17-19(28)26(21(29)33-17)12-18(27)24-15-5-7-16(8-6-15)34(30,31)25-20-23-9-10-32-20/h1-11H,12H2,(H,23,25)(H,24,27)
InChIK	DXJIYMWHQHMHAQ-UHFFFAOYSA-N
TotalMolweight	579.475
Molweight	579.475
MonoisotopicMass	577.938792
CLogP	3.1843
CLogS	-5.961
H Acceptors	9
H Donors	2
TotalSurfaceArea	363.62
Relative PSA	0.39324
PolarSurfaceArea	187.46
Druglikeness	6.775
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	5
Amides	3
Aromatic Nitrogens	1
StereoCon

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1 - 2-[(5Z)-5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide | 2 - 2-[(5Z)-5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

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