(5E)-3-benzyl-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Formula:C24H18NO3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-benzyl-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-benzyl-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H18NO3FS |
| Smiles | O=C(/C(/S1)=C\c2cc(OCc(cc3)ccc3F)ccc2)N(Cc2ccccc2)C1=O |
| InChI | InChI=1S/C24H18FNO3S/c25-20-11-9-18(10-12-20)16-29-21-8-4-7-19(13-21)14-22-23(27)26(24(28)30-22)15-17-5-2-1-3-6-17/h1-14H,15-16H2 |
| InChIK | ADOAQPLBVQUGHN-UHFFFAOYSA-N |
| TotalMolweight | 419.475 |
| Molweight | 419.475 |
| MonoisotopicMass | 419.099142 |
| CLogP | 4.6093 |
| CLogS | -5.765 |
| H Acceptors | 4 |
| TotalSurfaceArea | 311.15 |
| Relative PSA | 0.18358 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 2.8025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-benzyl-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-benzyl-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
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