4-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
Formula:C21H18N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide |
| MolecularFormula | C21H18N6O3 |
| Smiles | O=C(COc(cc1)ccc1C(N/N=C\c1ccncc1)=O)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C21H18N6O3/c28-20(26-24-13-16-5-9-22-10-6-16)15-30-19-3-1-18(2-4-19)21(29)27-25-14-17-7-11-23-12-8-17/h1-14H,15H2,(H,26,28)(H,27,29) |
| InChIK | JXARFASPHOOGOY-UHFFFAOYSA-N |
| TotalMolweight | 402.413 |
| Molweight | 402.413 |
| MonoisotopicMass | 402.144039 |
| CLogP | 2.3167 |
| CLogS | -4.016 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 322 |
| Relative PSA | 0.32286 |
| PolarSurfaceArea | 117.93 |
| Druglikeness | 4.1966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide | 2 - 4-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
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