N-(1,3-benzodioxol-5-yl)-2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Formula:C19H12N2O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,3-benzodioxol-5-yl)-2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is a drug-like molecule.
| MolName | N-(1,3-benzodioxol-5-yl)-2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide |
| MolecularFormula | C19H12N2O5Cl2S |
| Smiles | O=C(CN(C(/C(/S1)=C/c(c(Cl)ccc2)c2Cl)=O)C1=O)Nc(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H12Cl2N2O5S/c20-12-2-1-3-13(21)11(12)7-16-18(25)23(19(26)29-16)8-17(24)22-10-4-5-14-15(6-10)28-9-27-14/h1-7H,8-9H2,(H,22,24) |
| InChIK | XJCUHWKJAPUPLZ-UHFFFAOYSA-N |
| TotalMolweight | 451.285 |
| Molweight | 451.285 |
| MonoisotopicMass | 449.984397 |
| CLogP | 3.8581 |
| CLogS | -6.244 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 301.59 |
| Relative PSA | 0.30379 |
| PolarSurfaceArea | 110.24 |
| Druglikeness | 5.1449 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(1,3-benzodioxol-5-yl)-2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide | 2 - N-(1,3-benzodioxol-5-yl)-2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
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