(3E,5E)-3,5-dibenzylidene-1-[(E)-3-phenylprop-2-enoyl]piperidin-4-one
Formula:C28H23NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E,5E)-3,5-dibenzylidene-1-[(E)-3-phenylprop-2-enoyl]piperidin-4-one is not a drug-like molecule.
| MolName | (3E,5E)-3,5-dibenzylidene-1-[(E)-3-phenylprop-2-enoyl]piperidin-4-one |
| MolecularFormula | C28H23NO2 |
| Smiles | O=C(/C=C/c1ccccc1)N(C/C(/C1=O)=C\c2ccccc2)C/C1=C\c1ccccc1 |
| InChI | InChI=1S/C28H23NO2/c30-27(17-16-22-10-4-1-5-11-22)29-20-25(18-23-12-6-2-7-13-23)28(31)26(21-29)19-24-14-8-3-9-15-24/h1-19H,20-21H2 |
| InChIK | VWRVRYWIRXZQDO-UHFFFAOYSA-N |
| TotalMolweight | 405.496 |
| Molweight | 405.496 |
| MonoisotopicMass | 405.172879 |
| CLogP | 5.6131 |
| CLogS | -5.025 |
| H Acceptors | 3 |
| TotalSurfaceArea | 328.52 |
| Relative PSA | 0.090192 |
| PolarSurfaceArea | 37.38 |
| Druglikeness | 3.4931 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 13 |
| Amides | 1 |
| StereoCon |
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1 - (3E,5E)-3,5-dibenzylidene-1-[(E)-3-phenylprop-2-enoyl]piperidin-4-one | 2 - (3E,5E)-3,5-dibenzylidene-1-[(E)-3-phenylprop-2-enoyl]piperidin-4-one
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