| MolName | (5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H24N2O5S |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cccc2)c2OCCOc2ccccc2)=O)C1=O)N1CCCC1 |
| InChI | InChI=1S/C24H24N2O5S/c27-22(25-12-6-7-13-25)17-26-23(28)21(32-24(26)29)16-18-8-4-5-11-20(18)31-15-14-30-19-9-2-1-3-10-19/h1-5,8-11,16H,6-7,12-15,17H2 |
| InChIK | ABLNZPWNSHKEDL-UHFFFAOYSA-N |
| TotalMolweight | 452.53 |
| Molweight | 452.53 |
| MonoisotopicMass | 452.140593 |
| CLogP | 3.2385 |
| CLogS | -4.146 |
| H Acceptors | 7 |
| TotalSurfaceArea | 338.39 |
| Relative PSA | 0.24738 |
| PolarSurfaceArea | 101.45 |
| Druglikeness | -1.9723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[[2-(2-phenoxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione