| MolName | (Z)-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylbenzimidazol-1-yl)methanimine |
| MolecularFormula | C19H18N4O3 |
| Smiles | C1Oc(cc(/C=N\n2c(N3CCOCC3)nc3c2cccc3)cc2)c2O1 |
| InChI | InChI=1S/C19H18N4O3/c1-2-4-16-15(3-1)21-19(22-7-9-24-10-8-22)23(16)20-12-14-5-6-17-18(11-14)26-13-25-17/h1-6,11-12H,7-10,13H2 |
| InChIK | SKQWZKKIZGDLEY-UHFFFAOYSA-N |
| TotalMolweight | 350.377 |
| Molweight | 350.377 |
| MonoisotopicMass | 350.137891 |
| CLogP | 3.2079 |
| CLogS | -6.656 |
| H Acceptors | 7 |
| TotalSurfaceArea | 262.44 |
| Relative PSA | 0.23967 |
| PolarSurfaceArea | 61.11 |
| Druglikeness | 4.2318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylbenzimidazol-1-yl)methanimine | 2 - (Z)-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylbenzimidazol-1-yl)methanimine