(5E)-3-benzyl-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C21H14NO2BrS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-3-benzyl-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-3-benzyl-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C21H14NO2BrS2
Smiles	O=C(/C(/S1)=C\c2ccc(-c(cc3)ccc3Br)o2)N(Cc2ccccc2)C1=S
InChI	InChI=1S/C21H14BrNO2S2/c22-16-8-6-15(7-9-16)18-11-10-17(25-18)12-19-20(24)23(21(26)27-19)13-14-4-2-1-3-5-14/h1-12H,13H2
InChIK	PCNVNGBTZFKHFZ-UHFFFAOYSA-N
TotalMolweight	456.383
Molweight	456.383
MonoisotopicMass	454.96493
CLogP	4.4793
CLogS	-6.755
H Acceptors	3
TotalSurfaceArea	304.32
Relative PSA	0.25036
PolarSurfaceArea	90.84
Druglikeness	3.0594
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Amides	1
StereoCon

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