(5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Formula:C24H17NO3FIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C24H17NO3FIS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2OCc(cc2)ccc2I)N(Cc(cc2)ccc2F)C1=O |
| InChI | InChI=1S/C24H17FINO3S/c25-19-7-1-17(2-8-19)14-27-23(28)22(31-24(27)29)13-16-5-11-21(12-6-16)30-15-18-3-9-20(26)10-4-18/h1-13H,14-15H2 |
| InChIK | XLVNEJXAYNLWNB-UHFFFAOYSA-N |
| TotalMolweight | 545.367 |
| Molweight | 545.367 |
| MonoisotopicMass | 544.99579 |
| CLogP | 5.0464 |
| CLogS | -6.781 |
| H Acceptors | 4 |
| TotalSurfaceArea | 337.43 |
| Relative PSA | 0.16928 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 3.2494 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(4-fluorophenyl)methyl]-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
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