| MolName | (5E)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H18NO2FS2 |
| Smiles | O=C(/C(/S1)=C\c(cccc2)c2OCc(cccc2)c2F)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C24H18FNO2S2/c25-20-12-6-4-11-19(20)16-28-21-13-7-5-10-18(21)14-22-23(27)26(24(29)30-22)15-17-8-2-1-3-9-17/h1-14H,15-16H2 |
| InChIK | LCXHQOWSMXMULZ-UHFFFAOYSA-N |
| TotalMolweight | 435.542 |
| Molweight | 435.542 |
| MonoisotopicMass | 435.076297 |
| CLogP | 4.2641 |
| CLogS | -6.116 |
| H Acceptors | 3 |
| TotalSurfaceArea | 326.11 |
| Relative PSA | 0.22103 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 2.42 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one