2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C19H18N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C19H18N4O3 |
| Smiles | O=C(CC(NN1)=CC1=O)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C19H18N4O3/c24-18(10-16-11-19(25)23-21-16)22-20-12-15-7-4-8-17(9-15)26-13-14-5-2-1-3-6-14/h1-9,11-12H,10,13H2,(H,22,24)(H2,21,23,25) |
| InChIK | XXVDLFQJRUZCHM-UHFFFAOYSA-N |
| TotalMolweight | 350.377 |
| Molweight | 350.377 |
| MonoisotopicMass | 350.137891 |
| CLogP | 1.1793 |
| CLogS | -4.462 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 276.39 |
| Relative PSA | 0.29657 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 3.1262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
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