[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
Formula:C22H22N2O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone is a drug-like molecule.
| MolName | [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone |
| MolecularFormula | C22H22N2O2F4 |
| Smiles | O=C(c1cccc(OC(C(F)F)(F)F)c1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C22H22F4N2O2/c23-21(24)22(25,26)30-19-10-4-9-18(16-19)20(29)28-14-12-27(13-15-28)11-5-8-17-6-2-1-3-7-17/h1-10,16,21H,11-15H2 |
| InChIK | WQFHWFXGKGHOSL-UHFFFAOYSA-N |
| TotalMolweight | 422.421 |
| Molweight | 422.421 |
| MonoisotopicMass | 422.16174 |
| CLogP | 4.4366 |
| CLogS | -4.122 |
| H Acceptors | 4 |
| TotalSurfaceArea | 311.48 |
| Relative PSA | 0.096764 |
| PolarSurfaceArea | 32.78 |
| Druglikeness | -3.6234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone | 2 - [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off