| MolName | (E)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide |
| MolecularFormula | C24H26N2O2 |
| Smiles | O=C(/C=C/c1ccccc1)NCC(CC1)CCN1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C24H26N2O2/c27-23(13-11-20-7-3-1-4-8-20)25-19-22-15-17-26(18-16-22)24(28)14-12-21-9-5-2-6-10-21/h1-14,22H,15-19H2,(H,25,27) |
| InChIK | MFLIQXOVKVCLJG-UHFFFAOYSA-N |
| TotalMolweight | 374.482 |
| Molweight | 374.482 |
| MonoisotopicMass | 374.199428 |
| CLogP | 3.9531 |
| CLogS | -4.052 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 311.08 |
| Relative PSA | 0.13209 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 3.5969 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]methyl]prop-2-enamide