(5E)-5-[(4-fluorophenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
Formula:C22H16NO3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-fluorophenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(4-fluorophenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one |
| MolecularFormula | C22H16NO3FS |
| Smiles | O=C(/C(/S(C1c2ccccc2)(=O)=O)=C\c(cc2)ccc2F)N1c1ccccc1 |
| InChI | InChI=1S/C22H16FNO3S/c23-18-13-11-16(12-14-18)15-20-21(25)24(19-9-5-2-6-10-19)22(28(20,26)27)17-7-3-1-4-8-17/h1-15,22H/t22-/m0/s1 |
| InChIK | WJANRQIXOYFUAJ-QFIPXVFZSA-N |
| TotalMolweight | 393.437 |
| Molweight | 393.437 |
| MonoisotopicMass | 393.083492 |
| CLogP | 3.8742 |
| CLogS | -5.033 |
| H Acceptors | 4 |
| TotalSurfaceArea | 279.47 |
| Relative PSA | 0.16163 |
| PolarSurfaceArea | 62.83 |
| Druglikeness | 2.9642 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5E)-5-[(4-fluorophenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one | 2 - (5E)-5-[(4-fluorophenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
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