| MolName | (Z)-3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide |
| MolecularFormula | C21H18N2O4 |
| Smiles | O=C(/C=C/c1ccccc1)N/C(/C(NCc1ccco1)=O)=C\c1ccco1 |
| InChI | InChI=1S/C21H18N2O4/c24-20(11-10-16-6-2-1-3-7-16)23-19(14-17-8-4-12-26-17)21(25)22-15-18-9-5-13-27-18/h1-14H,15H2,(H,22,25)(H,23,24) |
| InChIK | JZRVJCDHTYTSHG-UHFFFAOYSA-N |
| TotalMolweight | 362.384 |
| Molweight | 362.384 |
| MonoisotopicMass | 362.126658 |
| CLogP | 2.8398 |
| CLogS | -4.423 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 295.55 |
| Relative PSA | 0.26128 |
| PolarSurfaceArea | 84.48 |
| Druglikeness | 1.8483 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (Z)-3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide | 2 - (Z)-3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide