1-(2-benzhydryloxyethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
Formula:C28H32N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2-benzhydryloxyethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is not a drug-like molecule.
| MolName | 1-(2-benzhydryloxyethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C28H32N2O |
| Smiles | C(COC(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2 |
| InChIK | XFBDGHFDKJITGC-UHFFFAOYSA-N |
| TotalMolweight | 412.575 |
| Molweight | 412.575 |
| MonoisotopicMass | 412.251463 |
| CLogP | 5.1635 |
| CLogS | -3.72 |
| H Acceptors | 3 |
| TotalSurfaceArea | 345.2 |
| Relative PSA | 0.049537 |
| PolarSurfaceArea | 15.71 |
| Druglikeness | 6.5413 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 11 |
| Symmetricatoms | 12 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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