(5Z)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
Formula:C21H24N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C21H24N3O3FS |
| Smiles | O=C(CN(C(/C(/S1)=C/c(ccc(N2CCCC2)c2)c2F)=O)C1=O)N1CCCCC1 |
| InChI | InChI=1S/C21H24FN3O3S/c22-17-13-16(23-8-4-5-9-23)7-6-15(17)12-18-20(27)25(21(28)29-18)14-19(26)24-10-2-1-3-11-24/h6-7,12-13H,1-5,8-11,14H2 |
| InChIK | FQSKEIHFYMFYCR-UHFFFAOYSA-N |
| TotalMolweight | 417.504 |
| Molweight | 417.504 |
| MonoisotopicMass | 417.15224 |
| CLogP | 2.8173 |
| CLogS | -4.184 |
| H Acceptors | 6 |
| TotalSurfaceArea | 303.06 |
| Relative PSA | 0.22194 |
| PolarSurfaceArea | 86.23 |
| Druglikeness | 2.2872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5Z)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
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