(E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
Formula:C19H18N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C19H18N3O3F3 |
| Smiles | O=C(/C=C/c1ncccc1)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1 |
| InChI | InChI=1S/C19H18F3N3O3/c20-19(21,22)14-4-6-17(24-11-14)28-13-16-12-25(9-10-27-16)18(26)7-5-15-3-1-2-8-23-15/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1 |
| InChIK | LFABEEVVMSTCSK-MRXNPFEDSA-N |
| TotalMolweight | 393.364 |
| Molweight | 393.364 |
| MonoisotopicMass | 393.130026 |
| CLogP | 2.2584 |
| CLogS | -2.761 |
| H Acceptors | 6 |
| TotalSurfaceArea | 288.59 |
| Relative PSA | 0.20281 |
| PolarSurfaceArea | 64.55 |
| Druglikeness | -4.1817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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 | 2 |
| StereoCon | racemate |
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1 - (E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-pyridin-2-yl-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
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