(3R)-N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C18H14N2O5F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C18H14N2O5F4 |
| Smiles | O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C18H14F4N2O5/c19-17(20)27-11-6-5-10(14(7-11)29-18(21)22)8-23-24-16(25)15-9-26-12-3-1-2-4-13(12)28-15/h1-8,15,17-18H,9H2,(H,24,25)/t15-/m1/s1 |
| InChIK | GEIIBADFXVPJIG-OAHLLOKOSA-N |
| TotalMolweight | 414.31 |
| Molweight | 414.31 |
| MonoisotopicMass | 414.083885 |
| CLogP | 3.0825 |
| CLogS | -4.987 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.15 |
| Relative PSA | 0.26197 |
| PolarSurfaceArea | 78.38 |
| Druglikeness | 2.1175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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