(E)-3-(2-phenylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C20H14N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-phenylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-phenylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C20H14N3OF3 |
| Smiles | O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C20H14F3N3O/c21-20(22,23)16-7-4-8-17(11-16)26-18(27)10-9-14-12-24-19(25-13-14)15-5-2-1-3-6-15/h1-13H,(H,26,27) |
| InChIK | CSWYVHXTPDNHKT-UHFFFAOYSA-N |
| TotalMolweight | 369.345 |
| Molweight | 369.345 |
| MonoisotopicMass | 369.108896 |
| CLogP | 4.0644 |
| CLogS | -5.417 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.47 |
| Relative PSA | 0.16858 |
| PolarSurfaceArea | 54.88 |
| Druglikeness | -7.6289 |
| 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 | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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