| MolName | N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide |
| MolecularFormula | C22H28N2O5 |
| Smiles | CC(C)Oc1cc(OC(C)C)c(/C=N\NC(c(ccc(OC)c2)c2OC)=O)cc1 |
| InChI | InChI=1S/C22H28N2O5/c1-14(2)28-18-8-7-16(20(12-18)29-15(3)4)13-23-24-22(25)19-10-9-17(26-5)11-21(19)27-6/h7-15H,1-6H3,(H,24,25) |
| InChIK | HVAJJADUPRJSEM-UHFFFAOYSA-N |
| TotalMolweight | 400.473 |
| Molweight | 400.473 |
| MonoisotopicMass | 400.199823 |
| CLogP | 4.4528 |
| CLogS | -5.149 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 325.55 |
| Relative PSA | 0.23348 |
| PolarSurfaceArea | 78.38 |
| Druglikeness | 3.7294 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide | 2 - N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide