(E)-3-thiophen-2-yl-2-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C18H12NOF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-thiophen-2-yl-2-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-thiophen-2-yl-2-thiophen-3-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C18H12NOF3S2 |
| Smiles | O=C(/C(/c1cscc1)=C/c1cccs1)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C18H12F3NOS2/c19-18(20,21)13-3-1-4-14(9-13)22-17(23)16(12-6-8-24-11-12)10-15-5-2-7-25-15/h1-11H,(H,22,23) |
| InChIK | KIIAGXCRQUKCBF-UHFFFAOYSA-N |
| TotalMolweight | 379.425 |
| Molweight | 379.425 |
| MonoisotopicMass | 379.031238 |
| CLogP | 4.9724 |
| CLogS | -5.143 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 268.04 |
| Relative PSA | 0.24332 |
| PolarSurfaceArea | 85.58 |
| Druglikeness | -2.6948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| 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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