(5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C22H20N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C22H20N2O3S2 |
| Smiles | O=C(CN(C(/C(/S1)=C/c(cccc2)c2Sc2ccccc2)=O)C1=O)N1CCCC1 |
| InChI | InChI=1S/C22H20N2O3S2/c25-20(23-12-6-7-13-23)15-24-21(26)19(29-22(24)27)14-16-8-4-5-11-18(16)28-17-9-2-1-3-10-17/h1-5,8-11,14H,6-7,12-13,15H2 |
| InChIK | LMRSABUXMMDBMY-UHFFFAOYSA-N |
| TotalMolweight | 424.544 |
| Molweight | 424.544 |
| MonoisotopicMass | 424.091533 |
| CLogP | 3.7046 |
| CLogS | -4.664 |
| H Acceptors | 5 |
| TotalSurfaceArea | 308.36 |
| Relative PSA | 0.26333 |
| PolarSurfaceArea | 108.29 |
| Druglikeness | 5.1403 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
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