(4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Formula:C23H20N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H20N3O3Br |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cccc(Br)c1)N(CCCn1cncc1)C1=O)/C1=O |
| InChI | InChI=1S/C23H20BrN3O3/c24-18-9-4-8-17(14-18)20-19(21(28)16-6-2-1-3-7-16)22(29)23(30)27(20)12-5-11-26-13-10-25-15-26/h1-4,6-10,13-15,20,28H,5,11-12H2/t20-/m1/s1 |
| InChIK | AKYDMAGRBMINGI-HXUWFJFHSA-N |
| TotalMolweight | 466.334 |
| Molweight | 466.334 |
| MonoisotopicMass | 465.068803 |
| CLogP | 2.7564 |
| CLogS | -2.667 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 314.72 |
| Relative PSA | 0.19246 |
| PolarSurfaceArea | 75.43 |
| Druglikeness | 0.35461 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
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