1-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
Formula:C23H25N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione is a drug-like molecule.
| MolName | 1-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione |
| MolecularFormula | C23H25N3O2 |
| Smiles | O=C(CC(C1=O)N2CCN(C/C=C/c3ccccc3)CC2)N1c1ccccc1 |
| InChI | InChI=1S/C23H25N3O2/c27-22-18-21(23(28)26(22)20-11-5-2-6-12-20)25-16-14-24(15-17-25)13-7-10-19-8-3-1-4-9-19/h1-12,21H,13-18H2/t21-/m0/s1 |
| InChIK | SIRNIAHSLIDDIC-NRFANRHFSA-N |
| TotalMolweight | 375.471 |
| Molweight | 375.471 |
| MonoisotopicMass | 375.194677 |
| CLogP | 2.644 |
| CLogS | -2.942 |
| H Acceptors | 5 |
| TotalSurfaceArea | 293.98 |
| Relative PSA | 0.12494 |
| PolarSurfaceArea | 43.86 |
| Druglikeness | 8.0717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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1 - 1-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione | 2 - 1-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
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