| MolName | N-[(2E,4E)-1-(furan-2-ylmethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide |
| MolecularFormula | C23H20N2O3 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\C=C\c1ccccc1)NCc1ccco1 |
| InChI | InChI=1S/C23H20N2O3/c26-22(19-12-5-2-6-13-19)25-21(15-7-11-18-9-3-1-4-10-18)23(27)24-17-20-14-8-16-28-20/h1-16H,17H2,(H,24,27)(H,25,26) |
| InChIK | RXQYWDJHDYXXIK-UHFFFAOYSA-N |
| TotalMolweight | 372.423 |
| Molweight | 372.423 |
| MonoisotopicMass | 372.147393 |
| CLogP | 3.9785 |
| CLogS | -4.683 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 305.86 |
| Relative PSA | 0.20634 |
| PolarSurfaceArea | 71.34 |
| Druglikeness | 3.2638 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(2E,4E)-1-(furan-2-ylmethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide | 2 - N-[(2E,4E)-1-(furan-2-ylmethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide