N-(3-chlorophenyl)-2-[(5Z)-5-[(2-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Formula:C18H12N2O3ClIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-2-[(5Z)-5-[(2-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.
| MolName | N-(3-chlorophenyl)-2-[(5Z)-5-[(2-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide |
| MolecularFormula | C18H12N2O3ClIS |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cccc2)c2I)=O)C1=O)Nc1cc(Cl)ccc1 |
| InChI | InChI=1S/C18H12ClIN2O3S/c19-12-5-3-6-13(9-12)21-16(23)10-22-17(24)15(26-18(22)25)8-11-4-1-2-7-14(11)20/h1-9H,10H2,(H,21,23) |
| InChIK | WSYQZCXTUZVJHR-UHFFFAOYSA-N |
| TotalMolweight | 498.723 |
| Molweight | 498.723 |
| MonoisotopicMass | 497.930188 |
| CLogP | 3.5778 |
| CLogS | -5.813 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 292.19 |
| Relative PSA | 0.24511 |
| PolarSurfaceArea | 91.78 |
| Druglikeness | 5.629 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(3-chlorophenyl)-2-[(5Z)-5-[(2-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide | 2 - N-(3-chlorophenyl)-2-[(5Z)-5-[(2-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off