(5E)-5-[(4-fluorophenyl)methylidene]-3-[(Z)-(4-fluorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H10N2OF2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-fluorophenyl)methylidene]-3-[(Z)-(4-fluorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(4-fluorophenyl)methylidene]-3-[(Z)-(4-fluorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H10N2OF2S2 |
| Smiles | O=C(/C(/SC1=S)=C\c(cc2)ccc2F)N1/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C17H10F2N2OS2/c18-13-5-1-11(2-6-13)9-15-16(22)21(17(23)24-15)20-10-12-3-7-14(19)8-4-12/h1-10H |
| InChIK | NNKAOWBTLUAWSX-UHFFFAOYSA-N |
| TotalMolweight | 360.407 |
| Molweight | 360.407 |
| MonoisotopicMass | 360.020259 |
| CLogP | 3.2568 |
| CLogS | -5.723 |
| H Acceptors | 3 |
| TotalSurfaceArea | 259.94 |
| Relative PSA | 0.2831 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | 3.488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 | 4 |
| StereoCon |
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1 - (5E)-5-[(4-fluorophenyl)methylidene]-3-[(Z)-(4-fluorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(4-fluorophenyl)methylidene]-3-[(Z)-(4-fluorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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