| MolName | (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H20NO2FS2 |
| Smiles | O=C(/C(/S1)=C/c(cccc2)c2OCc2cc(F)ccc2)N(CCc2ccccc2)C1=S |
| InChI | InChI=1S/C25H20FNO2S2/c26-21-11-6-9-19(15-21)17-29-22-12-5-4-10-20(22)16-23-24(28)27(25(30)31-23)14-13-18-7-2-1-3-8-18/h1-12,15-16H,13-14,17H2 |
| InChIK | LXEHSZSOHBDUGA-UHFFFAOYSA-N |
| TotalMolweight | 449.569 |
| Molweight | 449.569 |
| MonoisotopicMass | 449.091947 |
| CLogP | 4.6942 |
| CLogS | -6.228 |
| H Acceptors | 3 |
| TotalSurfaceArea | 339.87 |
| Relative PSA | 0.21208 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 2.6327 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one