| MolName | (5Z)-3-(furan-2-ylmethyl)-5-[[2-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H21NO4S2 |
| Smiles | O=C(/C(/S1)=C/c(cccc2)c2OCCCOc2ccccc2)N(Cc2ccco2)C1=S |
| InChI | InChI=1S/C24H21NO4S2/c26-23-22(31-24(30)25(23)17-20-11-6-13-28-20)16-18-8-4-5-12-21(18)29-15-7-14-27-19-9-2-1-3-10-19/h1-6,8-13,16H,7,14-15,17H2 |
| InChIK | QMIWIODPYNTVLU-UHFFFAOYSA-N |
| TotalMolweight | 451.566 |
| Molweight | 451.566 |
| MonoisotopicMass | 451.091199 |
| CLogP | 3.8133 |
| CLogS | -5.681 |
| H Acceptors | 5 |
| TotalSurfaceArea | 346.97 |
| Relative PSA | 0.27723 |
| PolarSurfaceArea | 109.3 |
| Druglikeness | 3.4565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(furan-2-ylmethyl)-5-[[2-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(furan-2-ylmethyl)-5-[[2-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one