1-[phenyl-(4-phenylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
Formula:C32H32N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-[phenyl-(4-phenylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is not a drug-like molecule.
| MolName | 1-[phenyl-(4-phenylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine |
| MolecularFormula | C32H32N2 |
| Smiles | C(/C=C/c1ccccc1)N(CC1)CCN1C(c1ccccc1)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C32H32N2/c1-4-11-27(12-5-1)13-10-22-33-23-25-34(26-24-33)32(30-16-8-3-9-17-30)31-20-18-29(19-21-31)28-14-6-2-7-15-28/h1-21,32H,22-26H2/t32-/m0/s1 |
| InChIK | QKHFYDWHKIPGFA-YTTGMZPUSA-N |
| TotalMolweight | 444.62 |
| Molweight | 444.62 |
| MonoisotopicMass | 444.256548 |
| CLogP | 6.9152 |
| CLogS | -5.885 |
| H Acceptors | 2 |
| TotalSurfaceArea | 367.44 |
| Relative PSA | 0.019323 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 6.5107 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 8 |
| Symmetricatoms | 10 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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1 - 1-[phenyl-(4-phenylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine | 2 - 1-[phenyl-(4-phenylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
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