(5E)-5-[(6,8-dichloro-4-oxochromen-3-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C20H8NO3Cl2F3S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(5E)-5-[(6,8-dichloro-4-oxochromen-3-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[(6,8-dichloro-4-oxochromen-3-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C20H8NO3Cl2F3S2 |
| Smiles | O=C(/C(/SC1=S)=C\C(C(c2cc(Cl)c3)=O)=COc2c3Cl)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C20H8Cl2F3NO3S2/c21-11-6-13-16(27)9(8-29-17(13)14(22)7-11)4-15-18(28)26(19(30)31-15)12-3-1-2-10(5-12)20(23,24)25/h1-8H |
| InChIK | JLKYJYCJYTWJIV-UHFFFAOYSA-N |
| TotalMolweight | 502.32 |
| Molweight | 502.32 |
| MonoisotopicMass | 500.927472 |
| CLogP | 4.7083 |
| CLogS | -7.803 |
| H Acceptors | 4 |
| TotalSurfaceArea | 321.74 |
| Relative PSA | 0.26456 |
| PolarSurfaceArea | 104 |
| Druglikeness | -3.7509 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(6,8-dichloro-4-oxochromen-3-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5E)-5-[(6,8-dichloro-4-oxochromen-3-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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