| MolName | 2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenoxy]acetamide |
| MolecularFormula | C15H12N3O3F3 |
| Smiles | NC(COc1ccc(/C=C/C(C=C(C(F)(F)F)N2)=NC2=O)cc1)=O |
| InChI | InChI=1S/C15H12F3N3O3/c16-15(17,18)12-7-10(20-14(23)21-12)4-1-9-2-5-11(6-3-9)24-8-13(19)22/h1-7H,8H2,(H2,19,22)(H,20,21,23) |
| InChIK | RTEMLXYXULTJBC-UHFFFAOYSA-N |
| TotalMolweight | 339.272 |
| Molweight | 339.272 |
| MonoisotopicMass | 339.083076 |
| CLogP | 1.4884 |
| CLogS | -4.168 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 242.64 |
| Relative PSA | 0.3063 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | -4.8423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenoxy]acetamide | 2 - 2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenoxy]acetamide