(5Z)-3-(4-chlorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C20H12NO3ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-(4-chlorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(4-chlorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C20H12NO3ClS2 |
| Smiles | O=C(/C(/SC1=O)=C/c(o2)ccc2Sc2ccccc2)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H12ClNO3S2/c21-13-6-8-14(9-7-13)22-19(23)17(27-20(22)24)12-15-10-11-18(25-15)26-16-4-2-1-3-5-16/h1-12H |
| InChIK | GOHANGVPDXLGIL-UHFFFAOYSA-N |
| TotalMolweight | 413.904 |
| Molweight | 413.904 |
| MonoisotopicMass | 412.994711 |
| CLogP | 4.9507 |
| CLogS | -6.599 |
| H Acceptors | 4 |
| TotalSurfaceArea | 289.88 |
| Relative PSA | 0.27156 |
| PolarSurfaceArea | 101.12 |
| Druglikeness | 4.1989 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(4-chlorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(4-chlorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off