| MolName | (E)-3-(furan-2-yl)-N-[2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide |
| MolecularFormula | C20H23N3O4 |
| Smiles | O=C(/C=C/c1ccco1)NCCN(CC1)CCN1C(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C20H23N3O4/c24-19(7-5-17-3-1-15-26-17)21-9-10-22-11-13-23(14-12-22)20(25)8-6-18-4-2-16-27-18/h1-8,15-16H,9-14H2,(H,21,24) |
| InChIK | IFHKEIPAMPWBEN-UHFFFAOYSA-N |
| TotalMolweight | 369.42 |
| Molweight | 369.42 |
| MonoisotopicMass | 369.168857 |
| CLogP | 1.4129 |
| CLogS | -2.169 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 302.02 |
| Relative PSA | 0.24124 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 6.6568 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-(furan-2-yl)-N-[2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide | 2 - (E)-3-(furan-2-yl)-N-[2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide