N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Formula:C23H20N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| MolecularFormula | C23H20N2O4 |
| Smiles | O=C(c(cc1)cc2c1OCCO2)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C23H20N2O4/c26-23(19-8-11-21-22(14-19)28-13-12-27-21)25-24-15-17-6-9-20(10-7-17)29-16-18-4-2-1-3-5-18/h1-11,14-15H,12-13,16H2,(H,25,26) |
| InChIK | KIJABLVKXKAIDZ-UHFFFAOYSA-N |
| TotalMolweight | 388.422 |
| Molweight | 388.422 |
| MonoisotopicMass | 388.142308 |
| CLogP | 4.5285 |
| CLogS | -5.244 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 304.53 |
| Relative PSA | 0.21676 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | -2.8595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | 2 - N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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