(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C18H11N2OF5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C18H11N2OF5S |
| Smiles | N#C/C(/C(Nc(cc1)ccc1SC(F)F)=O)=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C18H11F5N2OS/c19-17(20)27-15-6-4-14(5-7-15)25-16(26)12(10-24)8-11-2-1-3-13(9-11)18(21,22)23/h1-9,17H,(H,25,26) |
| InChIK | NAQQTWZFKSSJFT-UHFFFAOYSA-N |
| TotalMolweight | 398.354 |
| Molweight | 398.354 |
| MonoisotopicMass | 398.051223 |
| CLogP | 5.7315 |
| CLogS | -6.017 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 280.8 |
| Relative PSA | 0.19783 |
| PolarSurfaceArea | 78.19 |
| Druglikeness | -8.6106 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
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