(E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
Formula:C20H18N2O4ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one |
| MolecularFormula | C20H18N2O4ClF3 |
| Smiles | O=C(/C=C/c1cc(OC(F)(F)F)ccc1)N1CC(COc2cccnc2Cl)OCC1 |
| InChI | InChI=1S/C20H18ClF3N2O4/c21-19-17(5-2-8-25-19)29-13-16-12-26(9-10-28-16)18(27)7-6-14-3-1-4-15(11-14)30-20(22,23)24/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1 |
| InChIK | YLEZAUDOJXWBDT-MRXNPFEDSA-N |
| TotalMolweight | 442.82 |
| Molweight | 442.82 |
| MonoisotopicMass | 442.090719 |
| CLogP | 3.808 |
| CLogS | -3.751 |
| H Acceptors | 6 |
| TotalSurfaceArea | 315.25 |
| Relative PSA | 0.18259 |
| PolarSurfaceArea | 60.89 |
| Druglikeness | -4.9398 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one | 2 - (E)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
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