N-[(2Z,4E)-1-oxo-5-phenyl-1-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide
Formula:C24H20N4O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(2Z,4E)-1-oxo-5-phenyl-1-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(2Z,4E)-1-oxo-5-phenyl-1-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide |
| MolecularFormula | C24H20N4O2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C24H20N4O2/c29-23(20-13-5-2-6-14-20)27-22(16-9-12-19-10-3-1-4-11-19)24(30)28-26-18-21-15-7-8-17-25-21/h1-18H,(H,27,29)(H,28,30) |
| InChIK | POWGIOQAIXUOEA-UHFFFAOYSA-N |
| TotalMolweight | 396.449 |
| Molweight | 396.449 |
| MonoisotopicMass | 396.158626 |
| CLogP | 4.528 |
| CLogS | -5.007 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 325.93 |
| Relative PSA | 0.21931 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 6.4871 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(2Z,4E)-1-oxo-5-phenyl-1-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide | 2 - N-[(2Z,4E)-1-oxo-5-phenyl-1-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide
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