(E)-3-phenylsulfanyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
Formula:C18H16NOF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenylsulfanyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenylsulfanyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide |
| MolecularFormula | C18H16NOF3S |
| Smiles | O=C(/C=C/Sc1ccccc1)NCCc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C18H16F3NOS/c19-18(20,21)15-6-4-5-14(13-15)9-11-22-17(23)10-12-24-16-7-2-1-3-8-16/h1-8,10,12-13H,9,11H2,(H,22,23) |
| InChIK | RWGNTJWLOHQPGR-UHFFFAOYSA-N |
| TotalMolweight | 351.391 |
| Molweight | 351.391 |
| MonoisotopicMass | 351.090468 |
| CLogP | 4.1706 |
| CLogS | -4.592 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 263.2 |
| Relative PSA | 0.15954 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | -6.7784 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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