| MolName | (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide |
| MolecularFormula | C20H22N2O4 |
| Smiles | O=C(/C=C/c1ccco1)NC(CC1)CCC1NC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C20H22N2O4/c23-19(11-9-17-3-1-13-25-17)21-15-5-7-16(8-6-15)22-20(24)12-10-18-4-2-14-26-18/h1-4,9-16H,5-8H2,(H,21,23)(H,22,24) |
| InChIK | OZTWVRMHQSDESG-UHFFFAOYSA-N |
| TotalMolweight | 354.405 |
| Molweight | 354.405 |
| MonoisotopicMass | 354.157958 |
| CLogP | 2.292 |
| CLogS | -4.344 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 290.36 |
| Relative PSA | 0.26595 |
| PolarSurfaceArea | 84.48 |
| Druglikeness | -0.028341 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Symmetricatoms | 14 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide | 2 - (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide