(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
Formula:C20H19NO3F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one |
| MolecularFormula | C20H19NO3F2S |
| Smiles | O=C(/C=C/Sc1ccccc1)N1CC(COc(cc(cc2)F)c2F)OCC1 |
| InChI | InChI=1S/C20H19F2NO3S/c21-15-6-7-18(22)19(12-15)26-14-16-13-23(9-10-25-16)20(24)8-11-27-17-4-2-1-3-5-17/h1-8,11-12,16H,9-10,13-14H2/t16-/m1/s1 |
| InChIK | MWSRFUATBFMEIV-MRXNPFEDSA-N |
| TotalMolweight | 391.437 |
| Molweight | 391.437 |
| MonoisotopicMass | 391.10537 |
| CLogP | 3.2546 |
| CLogS | -4.04 |
| H Acceptors | 4 |
| TotalSurfaceArea | 291.8 |
| Relative PSA | 0.18533 |
| PolarSurfaceArea | 64.07 |
| Druglikeness | 1.8041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one | 2 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-phenylsulfanylprop-2-en-1-one
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