N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Formula:C20H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| MolecularFormula | C20H19N3O4 |
| Smiles | O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C20H19N3O4/c24-19(23-22-10-4-7-15-5-2-1-3-6-15)14-21-20(25)16-8-9-17-18(13-16)27-12-11-26-17/h1-10,13H,11-12,14H2,(H,21,25)(H,23,24) |
| InChIK | ONLYRTQUTHWUKC-UHFFFAOYSA-N |
| TotalMolweight | 365.388 |
| Molweight | 365.388 |
| MonoisotopicMass | 365.137557 |
| CLogP | 2.2824 |
| CLogS | -3.962 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 290.48 |
| Relative PSA | 0.27716 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -1.7656 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | 2 - N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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