(5Z)-3-[(4-bromophenyl)methyl]-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C17H11NO2BrIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(4-bromophenyl)methyl]-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5Z)-3-[(4-bromophenyl)methyl]-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H11NO2BrIS |
| Smiles | O=C(/C(/S1)=C/c(cccc2)c2I)N(Cc(cc2)ccc2Br)C1=O |
| InChI | InChI=1S/C17H11BrINO2S/c18-13-7-5-11(6-8-13)10-20-16(21)15(23-17(20)22)9-12-3-1-2-4-14(12)19/h1-9H,10H2 |
| InChIK | UBRFVPFMTNGVPR-UHFFFAOYSA-N |
| TotalMolweight | 500.149 |
| Molweight | 500.149 |
| MonoisotopicMass | 498.873858 |
| CLogP | 4.3227 |
| CLogS | -5.96 |
| H Acceptors | 3 |
| TotalSurfaceArea | 266.19 |
| Relative PSA | 0.17702 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | 3.059 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-[(4-bromophenyl)methyl]-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(4-bromophenyl)methyl]-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
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