(4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Formula:C23H23N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H23N2O4Br |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cccc(Br)c1)N(CCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C23H23BrN2O4/c24-18-8-4-7-17(15-18)20-19(21(27)16-5-2-1-3-6-16)22(28)23(29)26(20)10-9-25-11-13-30-14-12-25/h1-8,15,20,27H,9-14H2/t20-/m1/s1 |
| InChIK | KOMVNFVGUYWBMG-HXUWFJFHSA-N |
| TotalMolweight | 471.35 |
| Molweight | 471.35 |
| MonoisotopicMass | 470.084119 |
| CLogP | 2.3331 |
| CLogS | -2.472 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 315.08 |
| Relative PSA | 0.17862 |
| PolarSurfaceArea | 70.08 |
| Druglikeness | -1.0186 |
| 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 | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
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