| MolName | 2-(4-fluorophenoxy)-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]acetamide |
| MolecularFormula | C18H14N3O2FS |
| Smiles | O=C(COc(cc1)ccc1F)Nc1nnc(/C=C/c2ccccc2)s1 |
| InChI | InChI=1S/C18H14FN3O2S/c19-14-7-9-15(10-8-14)24-12-16(23)20-18-22-21-17(25-18)11-6-13-4-2-1-3-5-13/h1-11H,12H2,(H,20,22,23) |
| InChIK | TUSJBSJCTJHZTF-UHFFFAOYSA-N |
| TotalMolweight | 355.392 |
| Molweight | 355.392 |
| MonoisotopicMass | 355.079075 |
| CLogP | 3.5328 |
| CLogS | -4.565 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 272.06 |
| Relative PSA | 0.28229 |
| PolarSurfaceArea | 92.35 |
| Druglikeness | 2.463 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(4-fluorophenoxy)-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]acetamide | 2 - 2-(4-fluorophenoxy)-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]acetamide