(3R)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C22H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C22H18N2O4 |
| Smiles | O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H18N2O4/c25-22(21-15-26-19-11-4-5-12-20(19)28-21)24-23-14-16-7-6-10-18(13-16)27-17-8-2-1-3-9-17/h1-14,21H,15H2,(H,24,25)/t21-/m1/s1 |
| InChIK | YPIXHKPTAWXCTJ-OAQYLSRUSA-N |
| TotalMolweight | 374.395 |
| Molweight | 374.395 |
| MonoisotopicMass | 374.126658 |
| CLogP | 4.1393 |
| CLogS | -6.04 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.51 |
| Relative PSA | 0.22801 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 4.9206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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