3-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-6-(trifluoromethyl)pyrimidin-4-one
Formula:C20H15N2OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-6-(trifluoromethyl)pyrimidin-4-one is a drug-like molecule.
| MolName | 3-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-6-(trifluoromethyl)pyrimidin-4-one |
| MolecularFormula | C20H15N2OF3S |
| Smiles | O=C1N(c2ccccc2)C(SC/C=C/c2ccccc2)=NC(C(F)(F)F)=C1 |
| InChI | InChI=1S/C20H15F3N2OS/c21-20(22,23)17-14-18(26)25(16-11-5-2-6-12-16)19(24-17)27-13-7-10-15-8-3-1-4-9-15/h1-12,14H,13H2 |
| InChIK | NNSAEDAEUITOOA-UHFFFAOYSA-N |
| TotalMolweight | 388.412 |
| Molweight | 388.412 |
| MonoisotopicMass | 388.085717 |
| CLogP | 4.6876 |
| CLogS | -6.188 |
| H Acceptors | 3 |
| TotalSurfaceArea | 282.46 |
| Relative PSA | 0.1614 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | -5.8771 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| 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 |
| StereoCon |
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