4-[(E)-2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Formula:C20H12N4O2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 4-[(E)-2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one |
| MolecularFormula | C20H12N4O2F6 |
| Smiles | O=C1N=C(/C=C/c2ccc(/C=C/C(C=C(C(F)(F)F)N3)=NC3=O)cc2)C=C(C(F)(F)F)N1 |
| InChI | InChI=1S/C20H12F6N4O2/c21-19(22,23)15-9-13(27-17(31)29-15)7-5-11-1-2-12(4-3-11)6-8-14-10-16(20(24,25)26)30-18(32)28-14/h1-10H,(H,27,29,31)(H,28,30,32) |
| InChIK | TYVTXRCINABLFO-UHFFFAOYSA-N |
| TotalMolweight | 454.329 |
| Molweight | 454.329 |
| MonoisotopicMass | 454.086444 |
| CLogP | 3.9928 |
| CLogS | -6.982 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 311.96 |
| Relative PSA | 0.23086 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -5.4793 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 19 |
| Amides | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(E)-2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one | 2 - 4-[(E)-2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
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