| MolName | N-[(E)-3-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C26H24N3O4Cl |
| Smiles | C/C(/c(cc1)ccc1Cl)=N/NC(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc(OC)c1OC)=O |
| InChI | InChI=1S/C26H24ClN3O4/c1-17(19-10-12-21(27)13-11-19)29-30-26(32)22(28-25(31)20-7-5-4-6-8-20)15-18-9-14-23(33-2)24(16-18)34-3/h4-16H,1-3H3,(H,28,31)(H,30,32) |
| InChIK | RDLSJOTYYFCPCA-UHFFFAOYSA-N |
| TotalMolweight | 477.947 |
| Molweight | 477.947 |
| MonoisotopicMass | 477.145534 |
| CLogP | 5.2222 |
| CLogS | -6.598 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 371.08 |
| Relative PSA | 0.21696 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 5.5198 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(E)-3-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide