| MolName | 2-(4-bromophenoxy)-N-[(E)-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide |
| MolecularFormula | C17H13N3O3BrFS |
| Smiles | O=C(COc(cc1)ccc1Br)N/N=C(\N1c(cc2)ccc2F)/SCC1=O |
| InChI | InChI=1S/C17H13BrFN3O3S/c18-11-1-7-14(8-2-11)25-9-15(23)20-21-17-22(16(24)10-26-17)13-5-3-12(19)4-6-13/h1-8H,9-10H2,(H,20,23) |
| InChIK | YLSIPNSICZKTMT-UHFFFAOYSA-N |
| TotalMolweight | 438.276 |
| Molweight | 438.276 |
| MonoisotopicMass | 436.984501 |
| CLogP | 3.1337 |
| CLogS | -5.511 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.74 |
| Relative PSA | 0.2863 |
| PolarSurfaceArea | 96.3 |
| Druglikeness | 1.3485 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-(4-bromophenoxy)-N-[(E)-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide | 2 - 2-(4-bromophenoxy)-N-[(E)-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide