(4E)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Formula:C19H11N3O3F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C19H11N3O3F2S |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c(cc1)ccc1F)N(C1=O)c2nncs2)/C1=O |
| InChI | InChI=1S/C19H11F2N3O3S/c20-12-5-1-10(2-6-12)15-14(16(25)11-3-7-13(21)8-4-11)17(26)18(27)24(15)19-23-22-9-28-19/h1-9,15,25H/t15-/m1/s1 |
| InChIK | HLJQILHDISLOCJ-OAHLLOKOSA-N |
| TotalMolweight | 399.376 |
| Molweight | 399.376 |
| MonoisotopicMass | 399.048918 |
| CLogP | 2.4261 |
| CLogS | -3.791 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 273.01 |
| Relative PSA | 0.31145 |
| PolarSurfaceArea | 111.63 |
| Druglikeness | -0.73832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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1 - (4E)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
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