| MolName | furan-2-ylmethyl (Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate |
| MolecularFormula | C21H17NO5 |
| Smiles | O=C(/C=C/c1ccccc1)N/C(/C(OCc1ccco1)=O)=C\c1ccco1 |
| InChI | InChI=1S/C21H17NO5/c23-20(11-10-16-6-2-1-3-7-16)22-19(14-17-8-4-12-25-17)21(24)27-15-18-9-5-13-26-18/h1-14H,15H2,(H,22,23) |
| InChIK | NROQSEKVTCHEGH-UHFFFAOYSA-N |
| TotalMolweight | 363.368 |
| Molweight | 363.368 |
| MonoisotopicMass | 363.110674 |
| CLogP | 3.314 |
| CLogS | -4.559 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 294.09 |
| Relative PSA | 0.25761 |
| PolarSurfaceArea | 81.68 |
| Druglikeness | 1.0162 |
| 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 | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - furan-2-ylmethyl (Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate | 2 - furan-2-ylmethyl (Z)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate