N-[(Z)-3-oxo-1-phenyl-3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
Formula:C22H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-3-oxo-1-phenyl-3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-3-oxo-1-phenyl-3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide |
| MolecularFormula | C22H18N4O2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1ccccc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C22H18N4O2/c27-21(19-9-5-2-6-10-19)25-20(15-17-7-3-1-4-8-17)22(28)26-24-16-18-11-13-23-14-12-18/h1-16H,(H,25,27)(H,26,28) |
| InChIK | FLXOCBLIDMWOSA-UHFFFAOYSA-N |
| TotalMolweight | 370.411 |
| Molweight | 370.411 |
| MonoisotopicMass | 370.142976 |
| CLogP | 3.8174 |
| CLogS | -4.671 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 299.43 |
| Relative PSA | 0.23872 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 6.3946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-3-oxo-1-phenyl-3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-oxo-1-phenyl-3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
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