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

Formula:C22H17N4O5ClS3 Mutagenic:none Tumorigenic:low Reproductive Effective:low 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is not a drug-like molecule.

MolName	3-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
MolecularFormula	C22H17N4O5ClS3
Smiles	O=C(CCN(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=O)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O
InChI	InChI=1S/C22H17ClN4O5S3/c23-15-3-1-14(2-4-15)13-18-20(29)27(22(30)34-18)11-9-19(28)25-16-5-7-17(8-6-16)35(31,32)26-21-24-10-12-33-21/h1-8,10,12-13H,9,11H2,(H,24,26)(H,25,28)
InChIK	UNPVFRUNGXFLDN-UHFFFAOYSA-N
TotalMolweight	549.051
Molweight	549.051
MonoisotopicMass	548.004958
CLogP	3.5195
CLogS	-6.133
H Acceptors	9
H Donors	2
TotalSurfaceArea	374.17
Relative PSA	0.38215
PolarSurfaceArea	187.46
Druglikeness	9.345
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	5
Amides	3
Aromatic Nitrogens	1
StereoCon

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

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