(E)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-phenylsulfanylprop-2-enamide
Formula:C17H13NOF4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-phenylsulfanylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-phenylsulfanylprop-2-enamide |
| MolecularFormula | C17H13NOF4S |
| Smiles | O=C(/C=C/Sc1ccccc1)NCc1cc(F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C17H13F4NOS/c18-14-9-12(8-13(10-14)17(19,20)21)11-22-16(23)6-7-24-15-4-2-1-3-5-15/h1-10H,11H2,(H,22,23) |
| InChIK | GPDAFTRAIFYURB-UHFFFAOYSA-N |
| TotalMolweight | 355.354 |
| Molweight | 355.354 |
| MonoisotopicMass | 355.065396 |
| CLogP | 3.8413 |
| CLogS | -4.794 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 255.79 |
| Relative PSA | 0.16416 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | -6.9204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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