(4E)-5-(3-bromophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
Formula:C24H19N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-(3-bromophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(3-bromophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H19N2O3Br |
| Smiles | O/C(/c1ccncc1)=C(\C(c1cccc(Br)c1)N(CCc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H19BrN2O3/c25-19-8-4-7-18(15-19)21-20(22(28)17-9-12-26-13-10-17)23(29)24(30)27(21)14-11-16-5-2-1-3-6-16/h1-10,12-13,15,21,28H,11,14H2/t21-/m1/s1 |
| InChIK | NUMPHIGFMRMYSJ-OAQYLSRUSA-N |
| TotalMolweight | 463.33 |
| Molweight | 463.33 |
| MonoisotopicMass | 462.057904 |
| CLogP | 3.5116 |
| CLogS | -3.622 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 311.76 |
| Relative PSA | 0.17225 |
| PolarSurfaceArea | 70.5 |
| Druglikeness | -1.0549 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| 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 | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(3-bromophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(3-bromophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-phenylethyl)pyrrolidine-2,3-dione
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