4-[(E)-2-[2-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Formula:C20H14N2O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-[2-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 4-[(E)-2-[2-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one |
| MolecularFormula | C20H14N2O2F4 |
| Smiles | O=C1N=C(/C=C/c(cccc2)c2OCc(cccc2)c2F)C=C(C(F)(F)F)N1 |
| InChI | InChI=1S/C20H14F4N2O2/c21-16-7-3-1-6-14(16)12-28-17-8-4-2-5-13(17)9-10-15-11-18(20(22,23)24)26-19(27)25-15/h1-11H,12H2,(H,25,26,27) |
| InChIK | VNZUQJAVMARFTM-UHFFFAOYSA-N |
| TotalMolweight | 390.335 |
| Molweight | 390.335 |
| MonoisotopicMass | 390.09914 |
| CLogP | 4.2751 |
| CLogS | -5.954 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.48 |
| Relative PSA | 0.16288 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -5.6604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[(E)-2-[2-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one | 2 - 4-[(E)-2-[2-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
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