(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
Formula:C17H16N2O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H16N2O3Cl2S |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cc2)cc(Cl)c2Cl)=O)C1=O)N1CCCCC1 |
| InChI | InChI=1S/C17H16Cl2N2O3S/c18-12-5-4-11(8-13(12)19)9-14-16(23)21(17(24)25-14)10-15(22)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7,10H2 |
| InChIK | QYSNYVGZNQNXNR-UHFFFAOYSA-N |
| TotalMolweight | 399.297 |
| Molweight | 399.297 |
| MonoisotopicMass | 398.025867 |
| CLogP | 3.4375 |
| CLogS | -4.62 |
| H Acceptors | 5 |
| TotalSurfaceArea | 275.71 |
| Relative PSA | 0.23108 |
| PolarSurfaceArea | 82.99 |
| Druglikeness | 3.1792 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
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