| MolName | 2-[(2-phenoxyacetyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C19H19N3O3 |
| Smiles | O=C(CNC(COc1ccccc1)=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H19N3O3/c23-18(22-21-13-7-10-16-8-3-1-4-9-16)14-20-19(24)15-25-17-11-5-2-6-12-17/h1-13H,14-15H2,(H,20,24)(H,22,23) |
| InChIK | MWCOAJZZIJBQMA-UHFFFAOYSA-N |
| TotalMolweight | 337.378 |
| Molweight | 337.378 |
| MonoisotopicMass | 337.142642 |
| CLogP | 1.8785 |
| CLogS | -3.56 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 280.22 |
| Relative PSA | 0.25162 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 5.2802 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(2-phenoxyacetyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[(2-phenoxyacetyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide