(5Z)-3-[(4-fluorophenyl)methyl]-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C26H17N3OF2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(4-fluorophenyl)methyl]-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[(4-fluorophenyl)methyl]-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H17N3OF2S2 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2F)N(Cc(cc2)ccc2F)C1=S |
| InChI | InChI=1S/C26H17F2N3OS2/c27-20-10-6-17(7-11-20)15-30-25(32)23(34-26(30)33)14-19-16-31(22-4-2-1-3-5-22)29-24(19)18-8-12-21(28)13-9-18/h1-14,16H,15H2 |
| InChIK | TVBVWFFYHNJMSV-UHFFFAOYSA-N |
| TotalMolweight | 489.569 |
| Molweight | 489.569 |
| MonoisotopicMass | 489.078108 |
| CLogP | 3.9358 |
| CLogS | -6.602 |
| H Acceptors | 4 |
| TotalSurfaceArea | 356.42 |
| Relative PSA | 0.22423 |
| PolarSurfaceArea | 95.52 |
| Druglikeness | 4.5055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-3-[(4-fluorophenyl)methyl]-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[(4-fluorophenyl)methyl]-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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