(5E)-5-[(4-bromophenyl)methylidene]-3-(2-fluorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H9NO2BrFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5E)-5-[(4-bromophenyl)methylidene]-3-(2-fluorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(4-bromophenyl)methylidene]-3-(2-fluorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H9NO2BrFS2 |
| Smiles | O=C(c(cccc1)c1F)N(C(/C(/S1)=C\c(cc2)ccc2Br)=O)C1=S |
| InChI | InChI=1S/C17H9BrFNO2S2/c18-11-7-5-10(6-8-11)9-14-16(22)20(17(23)24-14)15(21)12-3-1-2-4-13(12)19/h1-9H |
| InChIK | RTNXCSPJROGFEO-UHFFFAOYSA-N |
| TotalMolweight | 422.297 |
| Molweight | 422.297 |
| MonoisotopicMass | 420.924208 |
| CLogP | 3.7236 |
| CLogS | -5.738 |
| H Acceptors | 3 |
| TotalSurfaceArea | 265.21 |
| Relative PSA | 0.28325 |
| PolarSurfaceArea | 94.77 |
| Druglikeness | -0.36304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| 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-[(4-bromophenyl)methylidene]-3-(2-fluorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(4-bromophenyl)methylidene]-3-(2-fluorobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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