(5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
Formula:C21H19N2O3ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C21H19N2O3ClS3 |
| Smiles | O=C(CN(C(/C(/S1)=C/c2ccc(Sc(cc3)ccc3Cl)s2)=O)C1=O)N1CCCCC1 |
| InChI | InChI=1S/C21H19ClN2O3S3/c22-14-4-6-15(7-5-14)28-19-9-8-16(29-19)12-17-20(26)24(21(27)30-17)13-18(25)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2 |
| InChIK | SZWJUTOMOIIXQA-UHFFFAOYSA-N |
| TotalMolweight | 479.044 |
| Molweight | 479.044 |
| MonoisotopicMass | 478.02463 |
| CLogP | 4.7239 |
| CLogS | -5.697 |
| H Acceptors | 5 |
| TotalSurfaceArea | 333.48 |
| Relative PSA | 0.30455 |
| PolarSurfaceArea | 136.53 |
| Druglikeness | 3.2269 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
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