| MolName | benzyl 2-[[(E)-2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]acetate |
| MolecularFormula | C23H20N2O5 |
| Smiles | O=C(CNC(/C(/NC(c1ccco1)=O)=C\c1ccccc1)=O)OCc1ccccc1 |
| InChI | InChI=1S/C23H20N2O5/c26-21(30-16-18-10-5-2-6-11-18)15-24-22(27)19(14-17-8-3-1-4-9-17)25-23(28)20-12-7-13-29-20/h1-14H,15-16H2,(H,24,27)(H,25,28) |
| InChIK | YPWXQUGNZWESJE-UHFFFAOYSA-N |
| TotalMolweight | 404.421 |
| Molweight | 404.421 |
| MonoisotopicMass | 404.137223 |
| CLogP | 2.8798 |
| CLogS | -4.274 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 320.87 |
| Relative PSA | 0.26849 |
| PolarSurfaceArea | 97.64 |
| Druglikeness | 1.91 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - benzyl 2-[[(E)-2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]acetate | 2 - benzyl 2-[[(E)-2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]acetate