| MolName | 2-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide |
| MolecularFormula | C18H13N2O2FS2 |
| Smiles | O=C(CSC(S/C1=C\c2ccccc2)=NC1=O)Nc1cc(F)ccc1 |
| InChI | InChI=1S/C18H13FN2O2S2/c19-13-7-4-8-14(10-13)20-16(22)11-24-18-21-17(23)15(25-18)9-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,22) |
| InChIK | LVSSEURGCMGHLL-UHFFFAOYSA-N |
| TotalMolweight | 372.443 |
| Molweight | 372.443 |
| MonoisotopicMass | 372.040246 |
| CLogP | 4.0423 |
| CLogS | -5.338 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.25 |
| Relative PSA | 0.31209 |
| PolarSurfaceArea | 109.13 |
| Druglikeness | 1.6388 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide | 2 - 2-[[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide