| MolName | 5-(phenoxymethyl)-3-[1-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one |
| MolecularFormula | C24H23N2O4F3 |
| Smiles | O=C(/C=C/c(c(F)c1F)ccc1F)N(CC1)CCC1N(CC(COc1ccccc1)O1)C1=O |
| InChI | InChI=1S/C24H23F3N2O4/c25-20-8-6-16(22(26)23(20)27)7-9-21(30)28-12-10-17(11-13-28)29-14-19(33-24(29)31)15-32-18-4-2-1-3-5-18/h1-9,17,19H,10-15H2/t19-/m0/s1 |
| InChIK | HKWCNNZKRAHZDR-IBGZPJMESA-N |
| TotalMolweight | 460.451 |
| Molweight | 460.451 |
| MonoisotopicMass | 460.160992 |
| CLogP | 3.8235 |
| CLogS | -4.829 |
| H Acceptors | 6 |
| TotalSurfaceArea | 335.23 |
| Relative PSA | 0.15864 |
| PolarSurfaceArea | 59.08 |
| Druglikeness | -1.8887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
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1 - 5-(phenoxymethyl)-3-[1-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one | 2 - 5-(phenoxymethyl)-3-[1-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one