(E)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide
Formula:C25H24N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide |
| MolecularFormula | C25H24N3OF |
| Smiles | O=C(/C=C/c1ccccc1)Nc(cccc1)c1N(CC1)CCN1c(cc1)ccc1F |
| InChI | InChI=1S/C25H24FN3O/c26-21-11-13-22(14-12-21)28-16-18-29(19-17-28)24-9-5-4-8-23(24)27-25(30)15-10-20-6-2-1-3-7-20/h1-15H,16-19H2,(H,27,30) |
| InChIK | SYZVKDDYQUVWQL-UHFFFAOYSA-N |
| TotalMolweight | 401.484 |
| Molweight | 401.484 |
| MonoisotopicMass | 401.19034 |
| CLogP | 4.5107 |
| CLogS | -5.262 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.98 |
| Relative PSA | 0.099691 |
| PolarSurfaceArea | 35.58 |
| Druglikeness | 2.6034 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
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1 - (E)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide
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