(E)-1-phenyl-3-[2-(2,3,5-trifluoro-6-morpholin-4-ylpyridin-4-yl)oxyphenyl]prop-2-en-1-one
Formula:C24H19N2O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-[2-(2,3,5-trifluoro-6-morpholin-4-ylpyridin-4-yl)oxyphenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-[2-(2,3,5-trifluoro-6-morpholin-4-ylpyridin-4-yl)oxyphenyl]prop-2-en-1-one |
| MolecularFormula | C24H19N2O3F3 |
| Smiles | O=C(/C=C/c(cccc1)c1Oc(c(F)c(N1CCOCC1)nc1F)c1F)c1ccccc1 |
| InChI | InChI=1S/C24H19F3N2O3/c25-20-22(21(26)24(28-23(20)27)29-12-14-31-15-13-29)32-19-9-5-4-8-17(19)10-11-18(30)16-6-2-1-3-7-16/h1-11H,12-15H2 |
| InChIK | PGZPXOLVWIKSEO-UHFFFAOYSA-N |
| TotalMolweight | 440.42 |
| Molweight | 440.42 |
| MonoisotopicMass | 440.134777 |
| CLogP | 4.3727 |
| CLogS | -7.437 |
| H Acceptors | 5 |
| TotalSurfaceArea | 326.68 |
| Relative PSA | 0.14559 |
| PolarSurfaceArea | 51.66 |
| Druglikeness | 0.8359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-1-phenyl-3-[2-(2,3,5-trifluoro-6-morpholin-4-ylpyridin-4-yl)oxyphenyl]prop-2-en-1-one | 2 - (E)-1-phenyl-3-[2-(2,3,5-trifluoro-6-morpholin-4-ylpyridin-4-yl)oxyphenyl]prop-2-en-1-one
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