(5E)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
Formula:C18H9NOF6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C18H9NOF6S2 |
| Smiles | O=C(/C(/SC1=S)=C\c2cc(C(F)(F)F)ccc2)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C18H9F6NOS2/c19-17(20,21)11-4-1-3-10(7-11)8-14-15(26)25(16(27)28-14)13-6-2-5-12(9-13)18(22,23)24/h1-9H |
| InChIK | WQVSHHWOOBEAON-UHFFFAOYSA-N |
| TotalMolweight | 433.395 |
| Molweight | 433.395 |
| MonoisotopicMass | 433.002972 |
| CLogP | 4.5889 |
| CLogS | -6.539 |
| H Acceptors | 2 |
| TotalSurfaceArea | 281.4 |
| Relative PSA | 0.22061 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -4.423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one | 2 - (5E)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
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