4-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Formula:C20H15N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 4-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one |
| MolecularFormula | C20H15N2O2F3 |
| Smiles | O=C1N=C(/C=C/c(cc2)ccc2OCc2ccccc2)C=C(C(F)(F)F)N1 |
| InChI | InChI=1S/C20H15F3N2O2/c21-20(22,23)18-12-16(24-19(26)25-18)9-6-14-7-10-17(11-8-14)27-13-15-4-2-1-3-5-15/h1-12H,13H2,(H,24,25,26) |
| InChIK | URYFTSHCRXXPSJ-UHFFFAOYSA-N |
| TotalMolweight | 372.345 |
| Molweight | 372.345 |
| MonoisotopicMass | 372.108562 |
| CLogP | 4.1743 |
| CLogS | -5.64 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.13 |
| Relative PSA | 0.16662 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -5.6604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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