(5E)-3-[(4-chlorophenyl)methyl]-5-[(2-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C20H12NO4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5E)-3-[(4-chlorophenyl)methyl]-5-[(2-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(4-chlorophenyl)methyl]-5-[(2-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C20H12NO4ClS |
| Smiles | O=C(/C(/S1)=C\C2=Cc(cccc3)c3OC2=O)N(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C20H12ClNO4S/c21-15-7-5-12(6-8-15)11-22-18(23)17(27-20(22)25)10-14-9-13-3-1-2-4-16(13)26-19(14)24/h1-10H,11H2 |
| InChIK | URBBQQAAHCFKMX-UHFFFAOYSA-N |
| TotalMolweight | 397.837 |
| Molweight | 397.837 |
| MonoisotopicMass | 397.017556 |
| CLogP | 3.6104 |
| CLogS | -5.128 |
| H Acceptors | 5 |
| TotalSurfaceArea | 275.66 |
| Relative PSA | 0.25452 |
| PolarSurfaceArea | 88.98 |
| Druglikeness | 4.6821 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| 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)-3-[(4-chlorophenyl)methyl]-5-[(2-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-[(4-chlorophenyl)methyl]-5-[(2-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
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