(5E)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(4-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C20H11NO4ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(4-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(4-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C20H11NO4ClFS |
| Smiles | O=C(/C(/S1)=C\C2=COc(cccc3)c3C2=O)N(Cc(ccc(F)c2)c2Cl)C1=O |
| InChI | InChI=1S/C20H11ClFNO4S/c21-15-8-13(22)6-5-11(15)9-23-19(25)17(28-20(23)26)7-12-10-27-16-4-2-1-3-14(16)18(12)24/h1-8,10H,9H2 |
| InChIK | VPEZCXOOVUQNDS-UHFFFAOYSA-N |
| TotalMolweight | 415.827 |
| Molweight | 415.827 |
| MonoisotopicMass | 415.008134 |
| CLogP | 3.6229 |
| CLogS | -5.73 |
| H Acceptors | 5 |
| TotalSurfaceArea | 282.01 |
| Relative PSA | 0.24879 |
| PolarSurfaceArea | 88.98 |
| Druglikeness | 3.546 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(4-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(4-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
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