| MolName | (E)-3-(furan-2-yl)-N-[4-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide |
| MolecularFormula | C26H20N2O5 |
| Smiles | O=C(/C=C/c1ccco1)Nc(cc1)ccc1Oc(cc1)ccc1NC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C26H20N2O5/c29-25(15-13-21-3-1-17-31-21)27-19-5-9-23(10-6-19)33-24-11-7-20(8-12-24)28-26(30)16-14-22-4-2-18-32-22/h1-18H,(H,27,29)(H,28,30) |
| InChIK | DIIXNTDNAHEBRL-UHFFFAOYSA-N |
| TotalMolweight | 440.454 |
| Molweight | 440.454 |
| MonoisotopicMass | 440.137223 |
| CLogP | 4.386 |
| CLogS | -7.041 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 353.34 |
| Relative PSA | 0.24684 |
| PolarSurfaceArea | 93.71 |
| Druglikeness | -0.27639 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 18 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(furan-2-yl)-N-[4-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide | 2 - (E)-3-(furan-2-yl)-N-[4-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide