| MolName | (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H23N2O4FS |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cc2)ccc2OCc(cc2)ccc2F)=O)C1=O)N1CCCCC1 |
| InChI | InChI=1S/C24H23FN2O4S/c25-19-8-4-18(5-9-19)16-31-20-10-6-17(7-11-20)14-21-23(29)27(24(30)32-21)15-22(28)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13,15-16H2 |
| InChIK | HUUYOILQHZSGPY-UHFFFAOYSA-N |
| TotalMolweight | 454.521 |
| Molweight | 454.521 |
| MonoisotopicMass | 454.136256 |
| CLogP | 3.6744 |
| CLogS | -4.803 |
| H Acceptors | 6 |
| TotalSurfaceArea | 334.74 |
| Relative PSA | 0.2202 |
| PolarSurfaceArea | 92.22 |
| Druglikeness | 1.5662 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione