| MolName | (E)-N-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C20H14N3OFS |
| Smiles | O=C(/C(/c(cc1)ccc1F)=C/c1cccs1)Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C20H14FN3OS/c21-14-9-7-13(8-10-14)16(12-15-4-3-11-26-15)19(25)24-20-22-17-5-1-2-6-18(17)23-20/h1-12H,(H2,22,23,24,25) |
| InChIK | MAMKNQYXTLBRTH-UHFFFAOYSA-N |
| TotalMolweight | 363.415 |
| Molweight | 363.415 |
| MonoisotopicMass | 363.08416 |
| CLogP | 4.4096 |
| CLogS | -5.261 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 271.92 |
| Relative PSA | 0.25677 |
| PolarSurfaceArea | 86.02 |
| Druglikeness | 3.598 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-N-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide