(5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H8NOBrClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H8NOBrClFS2 |
| Smiles | O=C(/C(/SC1=S)=C\c(cc2)cc(Br)c2F)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H8BrClFNOS2/c17-12-7-9(1-6-13(12)19)8-14-15(21)20(16(22)23-14)11-4-2-10(18)3-5-11/h1-8H |
| InChIK | WGOVWOXGKRUMFE-UHFFFAOYSA-N |
| TotalMolweight | 428.733 |
| Molweight | 428.733 |
| MonoisotopicMass | 426.89032 |
| CLogP | 4.3243 |
| CLogS | -6.867 |
| H Acceptors | 2 |
| TotalSurfaceArea | 262.88 |
| Relative PSA | 0.23615 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -0.30043 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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