(4E)-5-(4-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Formula:C25H20NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(4-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(4-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C25H20NO3Br |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1Br)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C25H20BrNO3/c26-20-13-11-18(12-14-20)22-21(23(28)19-9-5-2-6-10-19)24(29)25(30)27(22)16-15-17-7-3-1-4-8-17/h1-14,22,28H,15-16H2/t22-/m1/s1 |
| InChIK | WCEXOBBXOXXMTA-JOCHJYFZSA-N |
| TotalMolweight | 462.342 |
| Molweight | 462.342 |
| MonoisotopicMass | 461.062655 |
| CLogP | 4.5125 |
| CLogS | -4.417 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 313 |
| Relative PSA | 0.13652 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -1.0549 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(4-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(4-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
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