(E)-3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
Formula:C17H14NO2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-enamide |
| MolecularFormula | C17H14NO2F3S |
| Smiles | O=C(/C=C/Sc1ccccc1)NCc(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C17H14F3NO2S/c18-17(19,20)23-14-8-6-13(7-9-14)12-21-16(22)10-11-24-15-4-2-1-3-5-15/h1-11H,12H2,(H,21,22) |
| InChIK | QLOLNTHUXAQJHH-UHFFFAOYSA-N |
| TotalMolweight | 353.363 |
| Molweight | 353.363 |
| MonoisotopicMass | 353.069733 |
| CLogP | 3.9912 |
| CLogS | -4.725 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 259.44 |
| Relative PSA | 0.20039 |
| PolarSurfaceArea | 63.63 |
| Druglikeness | -7.7435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-enamide | 2 - (E)-3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off