2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C21H16N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H16N3O3F3 |
| Smiles | O=C(CN(C=C(C(F)(F)F)C=C1)C1=O)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H16F3N3O3/c22-21(23,24)16-9-10-20(29)27(13-16)14-19(28)26-25-12-15-5-4-8-18(11-15)30-17-6-2-1-3-7-17/h1-13H,14H2,(H,26,28) |
| InChIK | OATAOEKYPZXIDL-UHFFFAOYSA-N |
| TotalMolweight | 415.37 |
| Molweight | 415.37 |
| MonoisotopicMass | 415.114376 |
| CLogP | 3.3953 |
| CLogS | -5.769 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 305.97 |
| Relative PSA | 0.2046 |
| PolarSurfaceArea | 71 |
| Druglikeness | -1.8726 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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