| MolName | N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(4-fluorophenoxy)acetamide |
| MolecularFormula | C18H16N3O3FS |
| Smiles | O=C(COc(cc1)ccc1F)N/N=C(\N1Cc2ccccc2)/SCC1=O |
| InChI | InChI=1S/C18H16FN3O3S/c19-14-6-8-15(9-7-14)25-11-16(23)20-21-18-22(17(24)12-26-18)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,23) |
| InChIK | BTQAYAUMELFMCS-UHFFFAOYSA-N |
| TotalMolweight | 373.407 |
| Molweight | 373.407 |
| MonoisotopicMass | 373.08964 |
| CLogP | 2.3314 |
| CLogS | -4.155 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 274.87 |
| Relative PSA | 0.29137 |
| PolarSurfaceArea | 96.3 |
| Druglikeness | 4.1969 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(4-fluorophenoxy)acetamide | 2 - N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(4-fluorophenoxy)acetamide