| MolName | (E)-3-(4-fluorophenyl)-N-[2-(N-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide |
| MolecularFormula | C32H26N2O2F2 |
| Smiles | O=C(/C=C/c(cc1)ccc1F)N(CCN(C(/C=C/c(cc1)ccc1F)=O)c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C32H26F2N2O2/c33-27-17-11-25(12-18-27)15-21-31(37)35(29-7-3-1-4-8-29)23-24-36(30-9-5-2-6-10-30)32(38)22-16-26-13-19-28(34)20-14-26/h1-22H,23-24H2 |
| InChIK | QHMRDARZMFSLCJ-UHFFFAOYSA-N |
| TotalMolweight | 508.566 |
| Molweight | 508.566 |
| MonoisotopicMass | 508.196234 |
| CLogP | 6.8084 |
| CLogS | -7.192 |
| H Acceptors | 4 |
| TotalSurfaceArea | 401.86 |
| Relative PSA | 0.082566 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 0.75708 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 23 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-fluorophenyl)-N-[2-(N-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide | 2 - (E)-3-(4-fluorophenyl)-N-[2-(N-[(E)-3-(4-fluorophenyl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide