(5E)-3-benzyl-5-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C23H13NO2F6S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-3-benzyl-5-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5E)-3-benzyl-5-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C23H13NO2F6S2
Smiles	O=C(/C(/S1)=C\c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)N(Cc2ccccc2)C1=S
InChI	InChI=1S/C23H13F6NO2S2/c24-22(25,26)15-8-14(9-16(10-15)23(27,28)29)18-7-6-17(32-18)11-19-20(31)30(21(33)34-19)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIK	LMTIMKITHKPCBV-UHFFFAOYSA-N
TotalMolweight	513.481
Molweight	513.481
MonoisotopicMass	513.029187
CLogP	5.4507
CLogS	-7.477
H Acceptors	3
TotalSurfaceArea	344.61
Relative PSA	0.22109
PolarSurfaceArea	90.84
Druglikeness	-2.3406
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	10
Amides	1
StereoCon

Click to Load Molecule:

1 - (5E)-3-benzyl-5-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Request More Details | (5E)-3-benzyl-5-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments