(E)-3-(3-bromo-4-fluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
Formula:C20H17N2O3BrF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromo-4-fluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-bromo-4-fluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C20H17N2O3BrF4 |
| Smiles | O=C(/C=C/c(cc1)cc(Br)c1F)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1 |
| InChI | InChI=1S/C20H17BrF4N2O3/c21-16-9-13(1-4-17(16)22)2-6-19(28)27-7-8-29-15(11-27)12-30-18-5-3-14(10-26-18)20(23,24)25/h1-6,9-10,15H,7-8,11-12H2/t15-/m1/s1 |
| InChIK | IHFBTLFLDAQFCS-OAHLLOKOSA-N |
| TotalMolweight | 489.262 |
| Molweight | 489.262 |
| MonoisotopicMass | 488.035866 |
| CLogP | 4.0313 |
| CLogS | -4.68 |
| H Acceptors | 5 |
| TotalSurfaceArea | 314.81 |
| Relative PSA | 0.15108 |
| PolarSurfaceArea | 51.66 |
| Druglikeness | -5.9717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-3-(3-bromo-4-fluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-(3-bromo-4-fluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
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