(5Z)-3-[(2-bromophenyl)methyl]-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C21H14NO3BrS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-[(2-bromophenyl)methyl]-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(2-bromophenyl)methyl]-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C21H14NO3BrS2 |
| Smiles | O=C(/C(/S1)=C/c(o2)ccc2Sc2ccccc2)N(Cc(cccc2)c2Br)C1=O |
| InChI | InChI=1S/C21H14BrNO3S2/c22-17-9-5-4-6-14(17)13-23-20(24)18(28-21(23)25)12-15-10-11-19(26-15)27-16-7-2-1-3-8-16/h1-12H,13H2 |
| InChIK | OJCHUUXIQOJZMC-UHFFFAOYSA-N |
| TotalMolweight | 472.382 |
| Molweight | 472.382 |
| MonoisotopicMass | 470.959845 |
| CLogP | 4.9928 |
| CLogS | -6.175 |
| H Acceptors | 4 |
| TotalSurfaceArea | 306.85 |
| Relative PSA | 0.25654 |
| PolarSurfaceArea | 101.12 |
| Druglikeness | 3.4345 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-[(2-bromophenyl)methyl]-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(2-bromophenyl)methyl]-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
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