(5E)-3-benzyl-5-[[3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C24H13N2O4Br2F3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-benzyl-5-[[3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5E)-3-benzyl-5-[[3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C24H13N2O4Br2F3S2
Smiles	[O-][N+](c(cc(C(F)(F)F)cc1)c1Oc(c(Br)cc(/C=C(\C(N1Cc2ccccc2)=O)/SC1=S)c1)c1Br)=O
InChI	InChI=1S/C24H13Br2F3N2O4S2/c25-16-8-14(10-20-22(32)30(23(36)37-20)12-13-4-2-1-3-5-13)9-17(26)21(16)35-19-7-6-15(24(27,28)29)11-18(19)31(33)34/h1-11H,12H2
InChIK	UIKVQMPIKKUZSC-UHFFFAOYSA-N
TotalMolweight	674.311
Molweight	674.311
MonoisotopicMass	671.863554
CLogP	5.5879
CLogS	-9.664
H Acceptors	6
TotalSurfaceArea	396.39
Relative PSA	0.25858
PolarSurfaceArea	132.75
Druglikeness	-10.09
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	7
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (5E)-3-benzyl-5-[[3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[[3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Request More Details | (5E)-3-benzyl-5-[[3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments