| MolName | (5Z)-3-cyclopentyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C28H25N2O2FS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2OCc(cc2)ccc2F)N(C2CCCC2)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C28H25FN2O2S/c29-22-14-10-21(11-15-22)19-33-25-16-12-20(13-17-25)18-26-27(32)31(24-8-4-5-9-24)28(34-26)30-23-6-2-1-3-7-23/h1-3,6-7,10-18,24H,4-5,8-9,19H2 |
| InChIK | AGMBEZIXDHKPBU-UHFFFAOYSA-N |
| TotalMolweight | 472.583 |
| Molweight | 472.583 |
| MonoisotopicMass | 472.162076 |
| CLogP | 5.8454 |
| CLogS | -6.964 |
| H Acceptors | 4 |
| TotalSurfaceArea | 356.65 |
| Relative PSA | 0.15587 |
| PolarSurfaceArea | 67.2 |
| Druglikeness | -0.42333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-cyclopentyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclopentyl-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one