(4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenylpyrrolidine-2,3-dione
Formula:C26H21NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C26H21NO5 |
| Smiles | O/C(/c(cc1)cc2c1OCCO2)=C(\C(c1ccccc1)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C26H21NO5/c28-24(19-11-12-20-21(15-19)32-14-13-31-20)22-23(18-9-5-2-6-10-18)27(26(30)25(22)29)16-17-7-3-1-4-8-17/h1-12,15,23,28H,13-14,16H2/t23-/m0/s1 |
| InChIK | WVZBSRQLGPRVNV-QHCPKHFHSA-N |
| TotalMolweight | 427.455 |
| Molweight | 427.455 |
| MonoisotopicMass | 427.141974 |
| CLogP | 3.336 |
| CLogS | -3.653 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 314.63 |
| Relative PSA | 0.19938 |
| PolarSurfaceArea | 76.07 |
| Druglikeness | -6.5779 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenylpyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-phenylpyrrolidine-2,3-dione
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