| MolName | 2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylphenyl)acetamide |
| MolecularFormula | C20H19N3O4S2 |
| Smiles | O=C(CN(C(/C(/S1)=C\c2cccs2)=O)C1=O)Nc(cccc1)c1N1CCOCC1 |
| InChI | InChI=1S/C20H19N3O4S2/c24-18(21-15-5-1-2-6-16(15)22-7-9-27-10-8-22)13-23-19(25)17(29-20(23)26)12-14-4-3-11-28-14/h1-6,11-12H,7-10,13H2,(H,21,24) |
| InChIK | ZMVBONIBDHLKOQ-UHFFFAOYSA-N |
| TotalMolweight | 429.52 |
| Molweight | 429.52 |
| MonoisotopicMass | 429.081697 |
| CLogP | 2.0703 |
| CLogS | -4.174 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 308.27 |
| Relative PSA | 0.34233 |
| PolarSurfaceArea | 132.49 |
| Druglikeness | 5.018 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylphenyl)acetamide | 2 - 2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylphenyl)acetamide