| MolName | (5E)-3-[(4-fluorophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C19H17N2O4FS |
| Smiles | O=C(/C(/S1)=C\c2ccc(N3CCOCC3)o2)N(Cc(cc2)ccc2F)C1=O |
| InChI | InChI=1S/C19H17FN2O4S/c20-14-3-1-13(2-4-14)12-22-18(23)16(27-19(22)24)11-15-5-6-17(26-15)21-7-9-25-10-8-21/h1-6,11H,7-10,12H2 |
| InChIK | WTIBRRQFRBSGKK-UHFFFAOYSA-N |
| TotalMolweight | 388.418 |
| Molweight | 388.418 |
| MonoisotopicMass | 388.089306 |
| CLogP | 2.4703 |
| CLogS | -4.734 |
| H Acceptors | 6 |
| TotalSurfaceArea | 279.16 |
| Relative PSA | 0.26788 |
| PolarSurfaceArea | 88.29 |
| Druglikeness | 3.4819 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-[(4-fluorophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-[(4-fluorophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione