| MolName | (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H12N2O2Cl4S4 |
| Smiles | O=C(/C(/S1)=C/c(ccc(Cl)c2)c2Cl)N(CCN(C(/C(/S2)=C/c(ccc(Cl)c3)c3Cl)=O)C2=S)C1=S |
| InChI | InChI=1S/C22H12Cl4N2O2S4/c23-13-3-1-11(15(25)9-13)7-17-19(29)27(21(31)33-17)5-6-28-20(30)18(34-22(28)32)8-12-2-4-14(24)10-16(12)26/h1-4,7-10H,5-6H2 |
| InChIK | LMCMOEQIGLNXDD-UHFFFAOYSA-N |
| TotalMolweight | 606.425 |
| Molweight | 606.425 |
| MonoisotopicMass | 603.853566 |
| CLogP | 5.0536 |
| CLogS | -8.836 |
| H Acceptors | 4 |
| TotalSurfaceArea | 401.14 |
| Relative PSA | 0.30952 |
| PolarSurfaceArea | 155.4 |
| Druglikeness | 4.3721 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 17 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one