(E)-3-phenyl-N-[2-(4-phenylpiperazin-1-yl)phenyl]prop-2-enamide
Formula:C25H25N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-[2-(4-phenylpiperazin-1-yl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-[2-(4-phenylpiperazin-1-yl)phenyl]prop-2-enamide |
| MolecularFormula | C25H25N3O |
| Smiles | O=C(/C=C/c1ccccc1)Nc(cccc1)c1N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C25H25N3O/c29-25(16-15-21-9-3-1-4-10-21)26-23-13-7-8-14-24(23)28-19-17-27(18-20-28)22-11-5-2-6-12-22/h1-16H,17-20H2,(H,26,29) |
| InChIK | PBHANRUEOZNCHY-UHFFFAOYSA-N |
| TotalMolweight | 383.494 |
| Molweight | 383.494 |
| MonoisotopicMass | 383.199762 |
| CLogP | 4.4099 |
| CLogS | -4.948 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 310.63 |
| Relative PSA | 0.10173 |
| PolarSurfaceArea | 35.58 |
| Druglikeness | 3.9434 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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