(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C21H11NO2ClF3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C21H11NO2ClF3S2 |
| Smiles | O=C(/C(/SC1=S)=C\c2ccc(-c(cc3)ccc3Cl)o2)N1c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C21H11ClF3NO2S2/c22-13-7-5-12(6-8-13)17-10-9-14(28-17)11-18-19(27)26(20(29)30-18)16-4-2-1-3-15(16)21(23,24)25/h1-11H |
| InChIK | ZVEVOAQYRNAPSM-UHFFFAOYSA-N |
| TotalMolweight | 465.902 |
| Molweight | 465.902 |
| MonoisotopicMass | 464.98718 |
| CLogP | 5.2855 |
| CLogS | -7.957 |
| H Acceptors | 3 |
| TotalSurfaceArea | 316.81 |
| Relative PSA | 0.24049 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | -3.3629 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| 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-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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