(5E)-5-[(2-oxochromen-3-yl)methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione
Formula:C21H15NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5E)-5-[(2-oxochromen-3-yl)methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(2-oxochromen-3-yl)methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C21H15NO4S |
| Smiles | O=C(/C(/S1)=C\C2=Cc(cccc3)c3OC2=O)N(CCc2ccccc2)C1=O |
| InChI | InChI=1S/C21H15NO4S/c23-19-18(13-16-12-15-8-4-5-9-17(15)26-20(16)24)27-21(25)22(19)11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2 |
| InChIK | VQJBKIJIGKZZQX-UHFFFAOYSA-N |
| TotalMolweight | 377.419 |
| Molweight | 377.419 |
| MonoisotopicMass | 377.072179 |
| CLogP | 3.4345 |
| CLogS | -4.504 |
| H Acceptors | 5 |
| TotalSurfaceArea | 274 |
| Relative PSA | 0.25606 |
| PolarSurfaceArea | 88.98 |
| Druglikeness | 4.8235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(2-oxochromen-3-yl)methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(2-oxochromen-3-yl)methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione
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