(5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one

Formula:C26H28N2O2BrClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
MolecularFormula	C26H28N2O2BrClS2
Smiles	O=C(/C(/S1)=C/c(o2)cc(Br)c2Sc(cc2)ccc2Cl)N(C2CCCCC2)/C1=N/C1CCCCC1
InChI	InChI=1S/C26H28BrClN2O2S2/c27-22-15-20(32-25(22)33-21-13-11-17(28)12-14-21)16-23-24(31)30(19-9-5-2-6-10-19)26(34-23)29-18-7-3-1-4-8-18/h11-16,18-19H,1-10H2
InChIK	VQYOMPKZPLZZFJ-UHFFFAOYSA-N
TotalMolweight	580.009
Molweight	580.009
MonoisotopicMass	578.046406
CLogP	7.4185
CLogS	-8.792
H Acceptors	4
TotalSurfaceArea	389.57
Relative PSA	0.19814
PolarSurfaceArea	96.41
Druglikeness	-8.2211
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	14
Symmetricatoms	6
Amides	1
StereoCon

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1 - (5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one

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