| MolName | 2,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide |
| MolecularFormula | C20H23N3O5 |
| Smiles | C/C(/CC(Nc(cc1)ccc1OC)=O)=N/NC(c(ccc(OC)c1)c1OC)=O |
| InChI | InChI=1S/C20H23N3O5/c1-13(11-19(24)21-14-5-7-15(26-2)8-6-14)22-23-20(25)17-10-9-16(27-3)12-18(17)28-4/h5-10,12H,11H2,1-4H3,(H,21,24)(H,23,25) |
| InChIK | UDKPZSNYOXHAEJ-UHFFFAOYSA-N |
| TotalMolweight | 385.419 |
| Molweight | 385.419 |
| MonoisotopicMass | 385.163772 |
| CLogP | 2.6178 |
| CLogS | -3.985 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 307.21 |
| Relative PSA | 0.29462 |
| PolarSurfaceArea | 98.25 |
| Druglikeness | 3.8422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide | 2 - 2,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide