(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Formula:C23H26N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C23H26N2O4 |
| Smiles | Cc(cc(cc1)/C(/O)=C(/C(c2ccccc2)N(CCN(C)C)C2=O)\C2=O)c1OC |
| InChI | InChI=1S/C23H26N2O4/c1-15-14-17(10-11-18(15)29-4)21(26)19-20(16-8-6-5-7-9-16)25(13-12-24(2)3)23(28)22(19)27/h5-11,14,20,26H,12-13H2,1-4H3/t20-/m0/s1 |
| InChIK | IHMGBYHNXDCTFZ-FQEVSTJZSA-N |
| TotalMolweight | 394.469 |
| Molweight | 394.469 |
| MonoisotopicMass | 394.189258 |
| CLogP | 1.9128 |
| CLogS | -1.933 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 303.95 |
| Relative PSA | 0.18516 |
| PolarSurfaceArea | 70.08 |
| Druglikeness | 2.9525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione | 2 - (4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
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