(E)-3-(5-thiophen-2-ylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C18H12NOF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(5-thiophen-2-ylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(5-thiophen-2-ylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C18H12NOF3S2 |
| Smiles | O=C(/C=C/c1ccc(-c2cccs2)s1)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C18H12F3NOS2/c19-18(20,21)12-3-1-4-13(11-12)22-17(23)9-7-14-6-8-16(25-14)15-5-2-10-24-15/h1-11H,(H,22,23) |
| InChIK | WKNYRPLTKLUCBH-UHFFFAOYSA-N |
| TotalMolweight | 379.425 |
| Molweight | 379.425 |
| MonoisotopicMass | 379.031238 |
| CLogP | 5.773 |
| CLogS | -6.314 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 269.83 |
| Relative PSA | 0.24171 |
| PolarSurfaceArea | 85.58 |
| Druglikeness | -5.2682 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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