(5E)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-4-one

Formula:C19H16N2O3BrIS Mutagenic:high Tumorigenic:none Reproductive Effective:none (5E)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5E)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-4-one
MolecularFormula	C19H16N2O3BrIS
Smiles	O=C(/C(/S1)=C\c(o2)cc(Br)c2I)N(C[C@@H]2OCCC2)/C1=N\c1ccccc1
InChI	InChI=1S/C19H16BrIN2O3S/c20-15-9-14(26-17(15)21)10-16-18(24)23(11-13-7-4-8-25-13)19(27-16)22-12-5-2-1-3-6-12/h1-3,5-6,9-10,13H,4,7-8,11H2/t13-/m1/s1
InChIK	KSTFHHKMCMUAGW-CYBMUJFWSA-N
TotalMolweight	559.217
Molweight	559.217
MonoisotopicMass	557.910972
CLogP	3.931
CLogS	-5.985
H Acceptors	5
TotalSurfaceArea	311.38
Relative PSA	0.22384
PolarSurfaceArea	80.34
Druglikeness	-1.8223
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,2-dihalo-alkene
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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1 - (5E)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-4-one

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