(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
Formula:C24H19N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione |
| MolecularFormula | C24H19N2O3F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c1ccncc1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H19FN2O3/c25-19-8-6-18(7-9-19)22(28)20-21(17-10-13-26-14-11-17)27(24(30)23(20)29)15-12-16-4-2-1-3-5-16/h1-11,13-14,21,28H,12,15H2/t21-/m1/s1 |
| InChIK | KWUNUBYXIUCHPF-OAQYLSRUSA-N |
| TotalMolweight | 402.424 |
| Molweight | 402.424 |
| MonoisotopicMass | 402.137971 |
| CLogP | 2.8872 |
| CLogS | -3.102 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.48 |
| Relative PSA | 0.17931 |
| PolarSurfaceArea | 70.5 |
| Druglikeness | -0.60493 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-phenylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
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