4-[[(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoate

Formula:C28H17N2O4Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[[(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoate is not a drug-like molecule.

MolName	4-[[(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoate
MolecularFormula	C28H17N2O4Cl2S
Smiles	[O-]C(c1ccc(CN(C(/C(/S2)=C/c3ccc(-c(cc(cc4)Cl)c4Cl)o3)=O)/C2=N/c2ccccc2)cc1)=O
InChI	InChI=1S/C28H18Cl2N2O4S/c29-19-10-12-23(30)22(14-19)24-13-11-21(36-24)15-25-26(33)32(16-17-6-8-18(9-7-17)27(34)35)28(37-25)31-20-4-2-1-3-5-20/h1-15H,16H2,(H,34,35)/p-1
InChIK	NQQHETRREFBXAL-UHFFFAOYSA-M
TotalMolweight	548.425
Molweight	548.425
MonoisotopicMass	547.028607
CLogP	4.1609
CLogS	-8.273
H Acceptors	6
TotalSurfaceArea	391.83
Relative PSA	0.22209
PolarSurfaceArea	111.24
Druglikeness	5.4945
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - 4-[[(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoate | 2 - 4-[[(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoate

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