| MolName | (5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C21H15N2O3ClS |
| Smiles | Oc(ccc(/C=C(\C(N1Cc2ccco2)=O)/S/C1=N\c1ccccc1)c1)c1Cl |
| InChI | InChI=1S/C21H15ClN2O3S/c22-17-11-14(8-9-18(17)25)12-19-20(26)24(13-16-7-4-10-27-16)21(28-19)23-15-5-2-1-3-6-15/h1-12,25H,13H2 |
| InChIK | WZQDFNLYQGAXDD-UHFFFAOYSA-N |
| TotalMolweight | 410.88 |
| Molweight | 410.88 |
| MonoisotopicMass | 410.04919 |
| CLogP | 4.0499 |
| CLogS | -5.45 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.72 |
| Relative PSA | 0.24453 |
| PolarSurfaceArea | 91.34 |
| Druglikeness | 4.285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one