(5E)-2-sulfanylidene-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C22H11NO3F6S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(5E)-2-sulfanylidene-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-2-sulfanylidene-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C22H11NO3F6S2 |
| Smiles | O=C(/C(/SC1=S)=C\c2ccc(-c(cc3)ccc3OC(F)(F)F)o2)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C22H11F6NO3S2/c23-21(24,25)13-2-1-3-14(10-13)29-19(30)18(34-20(29)33)11-16-8-9-17(31-16)12-4-6-15(7-5-12)32-22(26,27)28/h1-11H |
| InChIK | PATTXWMGBBWSFK-UHFFFAOYSA-N |
| TotalMolweight | 515.453 |
| Molweight | 515.453 |
| MonoisotopicMass | 515.008452 |
| CLogP | 5.7785 |
| CLogS | -8.244 |
| H Acceptors | 4 |
| TotalSurfaceArea | 340.85 |
| Relative PSA | 0.25287 |
| PolarSurfaceArea | 100.07 |
| Druglikeness | -6.965 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-2-sulfanylidene-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5E)-2-sulfanylidene-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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