(5Z)-3-[(4-chlorophenyl)methyl]-4-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one

Formula:C22H13NO2ClF3S2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (5Z)-3-[(4-chlorophenyl)methyl]-4-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one is not a drug-like molecule.

MolName	(5Z)-3-[(4-chlorophenyl)methyl]-4-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one
MolecularFormula	C22H13NO2ClF3S2
Smiles	O=C(N(Cc(cc1)ccc1Cl)C1=S)S/C1=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChI	InChI=1S/C22H13ClF3NO2S2/c23-16-6-4-13(5-7-16)12-27-20(30)19(31-21(27)28)11-17-8-9-18(29-17)14-2-1-3-15(10-14)22(24,25)26/h1-11H,12H2
InChIK	UXYMCVMLNVNHMU-UHFFFAOYSA-N
TotalMolweight	479.929
Molweight	479.929
MonoisotopicMass	479.00283
CLogP	5.773
CLogS	-8.021
H Acceptors	3
TotalSurfaceArea	330.57
Relative PSA	0.23048
PolarSurfaceArea	90.84
Druglikeness	-2.645
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	4
Amides	1
StereoCon

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1 - (5Z)-3-[(4-chlorophenyl)methyl]-4-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one | 2 - (5Z)-3-[(4-chlorophenyl)methyl]-4-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-2-one

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