(E)-3-[3-(trifluoromethoxy)phenyl]-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
Formula:C21H18N2O4F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C21H18N2O4F6 |
| Smiles | O=C(/C=C/c1cccc(OC(F)(F)F)c1)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1 |
| InChI | InChI=1S/C21H18F6N2O4/c22-20(23,24)15-5-6-18(28-11-15)32-13-17-12-29(8-9-31-17)19(30)7-4-14-2-1-3-16(10-14)33-21(25,26)27/h1-7,10-11,17H,8-9,12-13H2/t17-/m1/s1 |
| InChIK | DAYJPWWXIHPNOD-QGZVFWFLSA-N |
| TotalMolweight | 476.372 |
| Molweight | 476.372 |
| MonoisotopicMass | 476.117076 |
| CLogP | 4.3043 |
| CLogS | -4.555 |
| H Acceptors | 6 |
| TotalSurfaceArea | 329.29 |
| Relative PSA | 0.1748 |
| PolarSurfaceArea | 60.89 |
| Druglikeness | -7.7217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-3-[3-(trifluoromethoxy)phenyl]-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-[3-(trifluoromethoxy)phenyl]-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
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