| MolName | 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-[3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]propanehydrazide |
| MolecularFormula | C26H20N4O4Cl2S4 |
| Smiles | O=C(CCN(C(/C(/S1)=C\c(cccc2)c2Cl)=O)C1=S)NNC(CCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)=O |
| InChI | InChI=1S/C26H20Cl2N4O4S4/c27-17-7-3-1-5-15(17)13-19-23(35)31(25(37)39-19)11-9-21(33)29-30-22(34)10-12-32-24(36)20(40-26(32)38)14-16-6-2-4-8-18(16)28/h1-8,13-14H,9-12H2,(H,29,33)(H,30,34) |
| InChIK | UCVUVHDSLKLSID-UHFFFAOYSA-N |
| TotalMolweight | 651.639 |
| Molweight | 651.639 |
| MonoisotopicMass | 649.97444 |
| CLogP | 2.5032 |
| CLogS | -7.89 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 456.24 |
| Relative PSA | 0.37954 |
| PolarSurfaceArea | 213.6 |
| Druglikeness | 5.4255 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Amides | 2 |
| StereoCon |
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1 - 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-[3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]propanehydrazide | 2 - 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-[3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]propanehydrazide