3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione
Formula:C20H13N2O3ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione is a drug-like molecule.
| MolName | 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione |
| MolecularFormula | C20H13N2O3ClS2 |
| Smiles | O=C(CC(C1=O)N(C(/C(/S2)=C/c(cc3)ccc3Cl)=O)C2=S)N1c1ccccc1 |
| InChI | InChI=1S/C20H13ClN2O3S2/c21-13-8-6-12(7-9-13)10-16-19(26)23(20(27)28-16)15-11-17(24)22(18(15)25)14-4-2-1-3-5-14/h1-10,15H,11H2/t15-/m0/s1 |
| InChIK | CTFQRIJYJLCGSB-HNNXBMFYSA-N |
| TotalMolweight | 428.919 |
| Molweight | 428.919 |
| MonoisotopicMass | 428.00561 |
| CLogP | 2.525 |
| CLogS | -5.6 |
| H Acceptors | 5 |
| TotalSurfaceArea | 296.46 |
| Relative PSA | 0.30935 |
| PolarSurfaceArea | 115.08 |
| Druglikeness | 4.7592 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
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1 - 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione | 2 - 3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione
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