(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C19H16N2O4ClFS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C19H16N2O4ClFS |
| Smiles | O=C(/C(/S1)=C\c2ccc(N3CCOCC3)o2)N(Cc(c(F)ccc2)c2Cl)C1=O |
| InChI | InChI=1S/C19H16ClFN2O4S/c20-14-2-1-3-15(21)13(14)11-23-18(24)16(28-19(23)25)10-12-4-5-17(27-12)22-6-8-26-9-7-22/h1-5,10H,6-9,11H2 |
| InChIK | CRHKUMWOQVFSSH-UHFFFAOYSA-N |
| TotalMolweight | 422.863 |
| Molweight | 422.863 |
| MonoisotopicMass | 422.050333 |
| CLogP | 3.0763 |
| CLogS | -5.47 |
| H Acceptors | 6 |
| TotalSurfaceArea | 294.58 |
| Relative PSA | 0.25385 |
| PolarSurfaceArea | 88.29 |
| Druglikeness | 3.5261 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-[(2-chloro-6-fluorophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
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