| MolName | (5Z)-5-[(3-hydroxyphenyl)methylidene]-3-[6-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H24N2O4S4 |
| Smiles | Oc1cccc(/C=C(/C(N2CCCCCCN(C(/C(/S3)=C/c4cc(O)ccc4)=O)C3=S)=O)\SC2=S)c1 |
| InChI | InChI=1S/C26H24N2O4S4/c29-19-9-5-7-17(13-19)15-21-23(31)27(25(33)35-21)11-3-1-2-4-12-28-24(32)22(36-26(28)34)16-18-8-6-10-20(30)14-18/h5-10,13-16,29-30H,1-4,11-12H2 |
| InChIK | KAJVJZHJSHEZBY-UHFFFAOYSA-N |
| TotalMolweight | 556.751 |
| Molweight | 556.751 |
| MonoisotopicMass | 556.061888 |
| CLogP | 3.7558 |
| CLogS | -6.38 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 407.2 |
| Relative PSA | 0.36925 |
| PolarSurfaceArea | 195.86 |
| Druglikeness | -0.925 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 18 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(3-hydroxyphenyl)methylidene]-3-[6-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(3-hydroxyphenyl)methylidene]-3-[6-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexyl]-2-sulfanylidene-1,3-thiazolidin-4-one