| MolName | 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylacetamide |
| MolecularFormula | C18H14N2O2S2 |
| Smiles | O=C(CN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)Nc1ccccc1 |
| InChI | InChI=1S/C18H14N2O2S2/c21-16(19-14-9-5-2-6-10-14)12-20-17(22)15(24-18(20)23)11-13-7-3-1-4-8-13/h1-11H,12H2,(H,19,21) |
| InChIK | XPCWKFDOJXZXJC-UHFFFAOYSA-N |
| TotalMolweight | 354.453 |
| Molweight | 354.453 |
| MonoisotopicMass | 354.049668 |
| CLogP | 2.1895 |
| CLogS | -4.412 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.45 |
| Relative PSA | 0.32616 |
| PolarSurfaceArea | 106.8 |
| Druglikeness | 4.7741 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylacetamide | 2 - 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylacetamide