(5E)-3-(3-fluorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H15NO2F2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(3-fluorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(3-fluorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H15NO2F2S2 |
| Smiles | O=C(/C(/SC1=S)=C\c(cc2)ccc2OCc(cc2)ccc2F)N1c1cc(F)ccc1 |
| InChI | InChI=1S/C23H15F2NO2S2/c24-17-8-4-16(5-9-17)14-28-20-10-6-15(7-11-20)12-21-22(27)26(23(29)30-21)19-3-1-2-18(25)13-19/h1-13H,14H2 |
| InChIK | MNVVCKVENNWGFR-UHFFFAOYSA-N |
| TotalMolweight | 439.505 |
| Molweight | 439.505 |
| MonoisotopicMass | 439.051225 |
| CLogP | 4.442 |
| CLogS | -6.952 |
| H Acceptors | 3 |
| TotalSurfaceArea | 318.7 |
| Relative PSA | 0.22617 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 1.2501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-(3-fluorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(3-fluorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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