(5E)-5-[(4-chlorophenyl)methylidene]-3-[(3-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione
Formula:C17H12N2O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-chlorophenyl)methylidene]-3-[(3-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(4-chlorophenyl)methylidene]-3-[(3-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H12N2O2ClFS |
| Smiles | O=C(/C(/S1)=C\c(cc2)ccc2Cl)N(CNc2cc(F)ccc2)C1=O |
| InChI | InChI=1S/C17H12ClFN2O2S/c18-12-6-4-11(5-7-12)8-15-16(22)21(17(23)24-15)10-20-14-3-1-2-13(19)9-14/h1-9,20H,10H2 |
| InChIK | QZFYLXVLOBMJDO-UHFFFAOYSA-N |
| TotalMolweight | 362.811 |
| Molweight | 362.811 |
| MonoisotopicMass | 362.029203 |
| CLogP | 3.6105 |
| CLogS | -5.658 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 254.51 |
| Relative PSA | 0.23017 |
| PolarSurfaceArea | 74.71 |
| Druglikeness | 2.489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(4-chlorophenyl)methylidene]-3-[(3-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(4-chlorophenyl)methylidene]-3-[(3-fluoroanilino)methyl]-1,3-thiazolidine-2,4-dione
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