| MolName | 2-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethylidene]amino]oxy-N-(3-phenoxyphenyl)acetamide |
| MolecularFormula | C24H21N3O6 |
| Smiles | O=C(CO/N=C\C(Nc(cc1)cc2c1OCCO2)=O)Nc1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C24H21N3O6/c28-23(26-18-9-10-21-22(14-18)31-12-11-30-21)15-25-32-16-24(29)27-17-5-4-8-20(13-17)33-19-6-2-1-3-7-19/h1-10,13-15H,11-12,16H2,(H,26,28)(H,27,29) |
| InChIK | NFMYNJWPDVPRNC-UHFFFAOYSA-N |
| TotalMolweight | 447.446 |
| Molweight | 447.446 |
| MonoisotopicMass | 447.143037 |
| CLogP | 3.2158 |
| CLogS | -5.798 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 343.74 |
| Relative PSA | 0.2924 |
| PolarSurfaceArea | 107.48 |
| Druglikeness | -4.8773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethylidene]amino]oxy-N-(3-phenoxyphenyl)acetamide | 2 - 2-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethylidene]amino]oxy-N-(3-phenoxyphenyl)acetamide