(5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-[(4-phenylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C23H22N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-[(4-phenylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-[(4-phenylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C23H22N2O3S2 |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cc2)ccc2Sc2ccccc2)=O)C1=O)N1CCCCC1 |
| InChI | InChI=1S/C23H22N2O3S2/c26-21(24-13-5-2-6-14-24)16-25-22(27)20(30-23(25)28)15-17-9-11-19(12-10-17)29-18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2 |
| InChIK | SBNJXPPMRVCWIS-UHFFFAOYSA-N |
| TotalMolweight | 438.571 |
| Molweight | 438.571 |
| MonoisotopicMass | 438.107183 |
| CLogP | 4.0466 |
| CLogS | -4.934 |
| H Acceptors | 5 |
| TotalSurfaceArea | 322.12 |
| Relative PSA | 0.25208 |
| PolarSurfaceArea | 108.29 |
| Druglikeness | 3.1461 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-[(4-phenylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(2-oxo-2-piperidin-1-ylethyl)-5-[(4-phenylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
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