(5E)-5-[(2-oxochromen-3-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
Formula:C21H13NO5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5E)-5-[(2-oxochromen-3-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(2-oxochromen-3-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C21H13NO5S |
| Smiles | O=C(CN(C(/C(/S1)=C\C2=Cc(cccc3)c3OC2=O)=O)C1=O)c1ccccc1 |
| InChI | InChI=1S/C21H13NO5S/c23-16(13-6-2-1-3-7-13)12-22-19(24)18(28-21(22)26)11-15-10-14-8-4-5-9-17(14)27-20(15)25/h1-11H,12H2 |
| InChIK | PHODEAMXRZIDJY-UHFFFAOYSA-N |
| TotalMolweight | 391.402 |
| Molweight | 391.402 |
| MonoisotopicMass | 391.051444 |
| CLogP | 2.5462 |
| CLogS | -4.685 |
| H Acceptors | 6 |
| TotalSurfaceArea | 277.99 |
| Relative PSA | 0.29929 |
| PolarSurfaceArea | 106.05 |
| Druglikeness | 5.1163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(2-oxochromen-3-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(2-oxochromen-3-yl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
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