(E)-2-cyano-3-(4-cyanophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
Formula:C18H11N3OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(4-cyanophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(4-cyanophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide |
| MolecularFormula | C18H11N3OF2S |
| Smiles | N#C/C(/C(Nc(cc1)ccc1SC(F)F)=O)=C\c(cc1)ccc1C#N |
| InChI | InChI=1S/C18H11F2N3OS/c19-18(20)25-16-7-5-15(6-8-16)23-17(24)14(11-22)9-12-1-3-13(10-21)4-2-12/h1-9,18H,(H,23,24) |
| InChIK | AIHADLGIAURXBC-UHFFFAOYSA-N |
| TotalMolweight | 355.367 |
| Molweight | 355.367 |
| MonoisotopicMass | 355.059088 |
| CLogP | 4.7188 |
| CLogS | -6.012 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.05 |
| Relative PSA | 0.2531 |
| PolarSurfaceArea | 101.98 |
| Druglikeness | -4.4606 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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