(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
Formula:C21H17N2O3F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-fluoro-2-(trifluoromethyl)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-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C21H17N2O3F7 |
| Smiles | O=C(/C=C/c(cc1)c(C(F)(F)F)cc1F)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1 |
| InChI | InChI=1S/C21H17F7N2O3/c22-15-4-1-13(17(9-15)21(26,27)28)2-6-19(31)30-7-8-32-16(11-30)12-33-18-5-3-14(10-29-18)20(23,24)25/h1-6,9-10,16H,7-8,11-12H2/t16-/m1/s1 |
| InChIK | BMELYXGMPBSYSP-MRXNPFEDSA-N |
| TotalMolweight | 478.363 |
| Molweight | 478.363 |
| MonoisotopicMass | 478.112739 |
| CLogP | 4.1544 |
| CLogS | -4.624 |
| H Acceptors | 5 |
| TotalSurfaceArea | 325.64 |
| Relative PSA | 0.14605 |
| PolarSurfaceArea | 51.66 |
| Druglikeness | -4.1817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
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