| MolName | (E)-N-benzyl-N-[2-[benzyl-[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C30H28N2O4 |
| Smiles | O=C(/C=C/c1ccco1)N(CCN(Cc1ccccc1)C(/C=C/c1ccco1)=O)Cc1ccccc1 |
| InChI | InChI=1S/C30H28N2O4/c33-29(17-15-27-13-7-21-35-27)31(23-25-9-3-1-4-10-25)19-20-32(24-26-11-5-2-6-12-26)30(34)18-16-28-14-8-22-36-28/h1-18,21-22H,19-20,23-24H2 |
| InChIK | YHHXRSKBUCNTPT-UHFFFAOYSA-N |
| TotalMolweight | 480.562 |
| Molweight | 480.562 |
| MonoisotopicMass | 480.204908 |
| CLogP | 4.4372 |
| CLogS | -4.884 |
| H Acceptors | 6 |
| TotalSurfaceArea | 396.06 |
| Relative PSA | 0.15503 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | 2.2633 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 20 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-benzyl-N-[2-[benzyl-[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-benzyl-N-[2-[benzyl-[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide