| MolName | N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-hydroxybenzamide |
| MolecularFormula | C20H20N3O5Br |
| Smiles | Oc(cc1)ccc1C(N/N=C\c(cc1)cc(Br)c1OCC(N1CCOCC1)=O)=O |
| InChI | InChI=1S/C20H20BrN3O5/c21-17-11-14(12-22-23-20(27)15-2-4-16(25)5-3-15)1-6-18(17)29-13-19(26)24-7-9-28-10-8-24/h1-6,11-12,25H,7-10,13H2,(H,23,27) |
| InChIK | RHFDABXTRMVTHD-UHFFFAOYSA-N |
| TotalMolweight | 462.299 |
| Molweight | 462.299 |
| MonoisotopicMass | 461.058633 |
| CLogP | 2.8303 |
| CLogS | -3.749 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 315.32 |
| Relative PSA | 0.27179 |
| PolarSurfaceArea | 100.46 |
| Druglikeness | 4.2303 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-hydroxybenzamide | 2 - N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-hydroxybenzamide