(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C21H11NO2F4S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C21H11NO2F4S2 |
| Smiles | O=C(/C(/SC1=S)=C\c2ccc(-c(cc3)ccc3F)o2)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C21H11F4NO2S2/c22-14-6-4-12(5-7-14)17-9-8-16(28-17)11-18-19(27)26(20(29)30-18)15-3-1-2-13(10-15)21(23,24)25/h1-11H |
| InChIK | DPZQHMQXEDUVNK-UHFFFAOYSA-N |
| TotalMolweight | 449.447 |
| Molweight | 449.447 |
| MonoisotopicMass | 449.016731 |
| CLogP | 4.7803 |
| CLogS | -7.535 |
| H Acceptors | 3 |
| TotalSurfaceArea | 307.74 |
| Relative PSA | 0.24758 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | -3.425 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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