(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Formula:C28H19NO3BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione is not a drug-like molecule.

MolName	(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
MolecularFormula	C28H19NO3BrClS
Smiles	O=C(/C(/S1)=C\c(cc2)cc(Br)c2OCc(cc2)ccc2Cl)N(Cc2cc3ccccc3cc2)C1=O
InChI	InChI=1S/C28H19BrClNO3S/c29-24-14-19(8-12-25(24)34-17-18-6-10-23(30)11-7-18)15-26-27(32)31(28(33)35-26)16-20-5-9-21-3-1-2-4-22(21)13-20/h1-15H,16-17H2
InChIK	VDUBTMBJDMTWBS-UHFFFAOYSA-N
TotalMolweight	564.886
Molweight	564.886
MonoisotopicMass	562.995752
CLogP	7.0341
CLogS	-8.627
H Acceptors	4
TotalSurfaceArea	373.45
Relative PSA	0.15295
PolarSurfaceArea	71.91
Druglikeness	2.4037
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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