| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide |
| MolecularFormula | C18H17N3O5 |
| Smiles | O=C(CNC(COc1ccccc1)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C18H17N3O5/c22-17(10-19-18(23)11-24-14-4-2-1-3-5-14)21-20-9-13-6-7-15-16(8-13)26-12-25-15/h1-9H,10-12H2,(H,19,23)(H,21,22) |
| InChIK | BFCXHECYZGGDON-UHFFFAOYSA-N |
| TotalMolweight | 355.349 |
| Molweight | 355.349 |
| MonoisotopicMass | 355.116822 |
| CLogP | 1.9716 |
| CLogS | -3.979 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 273.98 |
| Relative PSA | 0.33035 |
| PolarSurfaceArea | 98.25 |
| Druglikeness | 5.15 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide