| MolName | N-[(Z)-3-(4-fluoroanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C20H15N2O2FS |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1cccs1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C20H15FN2O2S/c21-15-8-10-16(11-9-15)22-20(25)18(13-17-7-4-12-26-17)23-19(24)14-5-2-1-3-6-14/h1-13H,(H,22,25)(H,23,24) |
| InChIK | RPGKYFDYMFQLKC-UHFFFAOYSA-N |
| TotalMolweight | 366.415 |
| Molweight | 366.415 |
| MonoisotopicMass | 366.083826 |
| CLogP | 4.3912 |
| CLogS | -5.197 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 278.2 |
| Relative PSA | 0.24932 |
| PolarSurfaceArea | 86.44 |
| Druglikeness | 3.1769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-3-(4-fluoroanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-(4-fluoroanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide