2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C18H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C18H16N4O3 |
| Smiles | O=C(CC(NN1)=CC1=O)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C18H16N4O3/c23-17(10-14-11-18(24)22-20-14)21-19-12-13-5-4-8-16(9-13)25-15-6-2-1-3-7-15/h1-9,11-12H,10H2,(H,21,23)(H2,20,22,24) |
| InChIK | ZQTLMEBNSOPJGU-UHFFFAOYSA-N |
| TotalMolweight | 336.35 |
| Molweight | 336.35 |
| MonoisotopicMass | 336.122241 |
| CLogP | 1.2268 |
| CLogS | -5.418 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 262.63 |
| Relative PSA | 0.31211 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 3.3357 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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