(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Formula:C24H20N3O5FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H20N3O5FS2 |
| Smiles | O/C(/c(cc1)ccc1S(N1CCCC1)(=O)=O)=C(\C(c(cc1)ccc1F)N(C1=O)c2nccs2)/C1=O |
| InChI | InChI=1S/C24H20FN3O5S2/c25-17-7-3-15(4-8-17)20-19(22(30)23(31)28(20)24-26-11-14-34-24)21(29)16-5-9-18(10-6-16)35(32,33)27-12-1-2-13-27/h3-11,14,20,29H,1-2,12-13H2/t20-/m1/s1 |
| InChIK | PPQINQDMXWJWKT-HXUWFJFHSA-N |
| TotalMolweight | 513.569 |
| Molweight | 513.569 |
| MonoisotopicMass | 513.08284 |
| CLogP | 3.0252 |
| CLogS | -3.865 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 348.32 |
| Relative PSA | 0.30486 |
| PolarSurfaceArea | 144.5 |
| Druglikeness | 1.472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pyrrolidin-1-ylsulfonylphenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
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