| MolName | 2-fluoro-N-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide |
| MolecularFormula | C19H16N3O2FS |
| Smiles | O=C(c(cccc1)c1F)NCc(o1)nnc1SC/C=C/c1ccccc1 |
| InChI | InChI=1S/C19H16FN3O2S/c20-16-11-5-4-10-15(16)18(24)21-13-17-22-23-19(25-17)26-12-6-9-14-7-2-1-3-8-14/h1-11H,12-13H2,(H,21,24) |
| InChIK | ZEFZVOFCVNJCHM-UHFFFAOYSA-N |
| TotalMolweight | 369.419 |
| Molweight | 369.419 |
| MonoisotopicMass | 369.094725 |
| CLogP | 3.6782 |
| CLogS | -4.515 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.06 |
| Relative PSA | 0.27186 |
| PolarSurfaceArea | 93.32 |
| Druglikeness | 1.6716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-fluoro-N-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide | 2 - 2-fluoro-N-[[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide