(5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C24H14NO2Cl2F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C24H14NO2Cl2F3S2 |
| Smiles | O=C(/C(/SC1=S)=C\c(cccc2)c2OCc(ccc(Cl)c2)c2Cl)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C24H14Cl2F3NO2S2/c25-17-9-8-15(19(26)12-17)13-32-20-7-2-1-4-14(20)10-21-22(31)30(23(33)34-21)18-6-3-5-16(11-18)24(27,28)29/h1-12H,13H2 |
| InChIK | CDGJPKFJVJBDGO-UHFFFAOYSA-N |
| TotalMolweight | 540.412 |
| Molweight | 540.412 |
| MonoisotopicMass | 538.979507 |
| CLogP | 6.3007 |
| CLogS | -8.574 |
| H Acceptors | 3 |
| TotalSurfaceArea | 366.3 |
| Relative PSA | 0.19678 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | -4.5272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5E)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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