| MolName | (5Z)-3-(furan-2-ylmethyl)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H19NO3S2 |
| Smiles | O=C(/C(/S1)=C/c(cccc2)c2OCc2cccc3ccccc23)N(Cc2ccco2)C1=S |
| InChI | InChI=1S/C26H19NO3S2/c28-25-24(32-26(31)27(25)16-21-11-6-14-29-21)15-19-8-2-4-13-23(19)30-17-20-10-5-9-18-7-1-3-12-22(18)20/h1-15H,16-17H2 |
| InChIK | HLMAAAOQXSQYSF-UHFFFAOYSA-N |
| TotalMolweight | 457.573 |
| Molweight | 457.573 |
| MonoisotopicMass | 457.080634 |
| CLogP | 4.5464 |
| CLogS | -7.09 |
| H Acceptors | 4 |
| TotalSurfaceArea | 344.05 |
| Relative PSA | 0.25052 |
| PolarSurfaceArea | 100.07 |
| Druglikeness | 3.608 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(furan-2-ylmethyl)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(furan-2-ylmethyl)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one