(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
Formula:C17H10NO2Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H10NO2Cl2FS |
| Smiles | O=C(/C(/S1)=C/c(c(F)ccc2)c2Cl)N(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C17H10Cl2FNO2S/c18-11-6-4-10(5-7-11)9-21-16(22)15(24-17(21)23)8-12-13(19)2-1-3-14(12)20/h1-8H,9H2 |
| InChIK | DSKOKBJCRGMVPG-UHFFFAOYSA-N |
| TotalMolweight | 382.241 |
| Molweight | 382.241 |
| MonoisotopicMass | 380.979331 |
| CLogP | 4.4732 |
| CLogS | -5.896 |
| H Acceptors | 3 |
| TotalSurfaceArea | 258.47 |
| Relative PSA | 0.1823 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | 3.1051 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
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