| MolName | 4-benzamido-N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide |
| MolecularFormula | C28H23N3O4 |
| Smiles | O=C(/C(/NC(c(cc1)ccc1NC(c1ccccc1)=O)=O)=C\c1ccccc1)NCc1ccco1 |
| InChI | InChI=1S/C28H23N3O4/c32-26(21-10-5-2-6-11-21)30-23-15-13-22(14-16-23)27(33)31-25(18-20-8-3-1-4-9-20)28(34)29-19-24-12-7-17-35-24/h1-18H,19H2,(H,29,34)(H,30,32)(H,31,33) |
| InChIK | UMDQVZIBBDQNRI-UHFFFAOYSA-N |
| TotalMolweight | 465.508 |
| Molweight | 465.508 |
| MonoisotopicMass | 465.168857 |
| CLogP | 4.4694 |
| CLogS | -5.883 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 368.33 |
| Relative PSA | 0.23786 |
| PolarSurfaceArea | 100.44 |
| Druglikeness | 3.12 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 3 |
| StereoCon |
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1 - 4-benzamido-N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide | 2 - 4-benzamido-N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide