| MolName | 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide |
| MolecularFormula | C18H13N2O4ClS |
| Smiles | Oc(cc1)ccc1NC(CN(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=O)=O |
| InChI | InChI=1S/C18H13ClN2O4S/c19-12-3-1-11(2-4-12)9-15-17(24)21(18(25)26-15)10-16(23)20-13-5-7-14(22)8-6-13/h1-9,22H,10H2,(H,20,23) |
| InChIK | LMDCMTQKMVIYNI-UHFFFAOYSA-N |
| TotalMolweight | 388.83 |
| Molweight | 388.83 |
| MonoisotopicMass | 388.028455 |
| CLogP | 2.795 |
| CLogS | -4.501 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 272.26 |
| Relative PSA | 0.31117 |
| PolarSurfaceArea | 112.01 |
| Druglikeness | 5.2163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide | 2 - 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide