(4E)-1-benzyl-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C24H18NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C24H18NO3Br |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cccc(Br)c1)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H18BrNO3/c25-19-13-7-12-18(14-19)21-20(22(27)17-10-5-2-6-11-17)23(28)24(29)26(21)15-16-8-3-1-4-9-16/h1-14,21,27H,15H2/t21-/m1/s1 |
| InChIK | BCMHXSCFTUEMRJ-OAQYLSRUSA-N |
| TotalMolweight | 448.315 |
| Molweight | 448.315 |
| MonoisotopicMass | 447.047005 |
| CLogP | 4.0824 |
| CLogS | -4.305 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 299.24 |
| Relative PSA | 0.1428 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -1.225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-1-benzyl-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off