N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
Formula:C20H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide |
| MolecularFormula | C20H16N4O3 |
| Smiles | O=C(C(N/N=C\c1cnccc1)=O)Nc(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C20H16N4O3/c25-19(20(26)24-22-14-15-5-4-12-21-13-15)23-16-8-10-18(11-9-16)27-17-6-2-1-3-7-17/h1-14H,(H,23,25)(H,24,26) |
| InChIK | BAUCQEXZSHHPBB-UHFFFAOYSA-N |
| TotalMolweight | 360.372 |
| Molweight | 360.372 |
| MonoisotopicMass | 360.122241 |
| CLogP | 2.5386 |
| CLogS | -5.027 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 284.72 |
| Relative PSA | 0.28618 |
| PolarSurfaceArea | 92.68 |
| Druglikeness | 3.6351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide | 2 - N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
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