| MolName | (5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H14N2O3F2S2 |
| Smiles | O=C(/C(/SC1=S)=C/c2ccc(-c(cc3)ccc3F)o2)N1/N=C\c1ccc(-c(cc2)ccc2F)o1 |
| InChI | InChI=1S/C25H14F2N2O3S2/c26-17-5-1-15(2-6-17)21-11-9-19(31-21)13-23-24(30)29(25(33)34-23)28-14-20-10-12-22(32-20)16-3-7-18(27)8-4-16/h1-14H |
| InChIK | ZVACYVGSORSOJK-UHFFFAOYSA-N |
| TotalMolweight | 492.525 |
| Molweight | 492.525 |
| MonoisotopicMass | 492.041389 |
| CLogP | 5.1346 |
| CLogS | -8.643 |
| H Acceptors | 5 |
| TotalSurfaceArea | 358.84 |
| Relative PSA | 0.28372 |
| PolarSurfaceArea | 116.34 |
| Druglikeness | 5.6184 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one