(3S)-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione
Formula:C22H16N2O3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(3S)-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione is a drug-like molecule.
| MolName | (3S)-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione |
| MolecularFormula | C22H16N2O3S2 |
| Smiles | O=C(C[C@@H](C1=O)N(C(/C(/S2)=C/C=C/c3ccccc3)=O)C2=S)N1c1ccccc1 |
| InChI | InChI=1S/C22H16N2O3S2/c25-19-14-17(20(26)23(19)16-11-5-2-6-12-16)24-21(27)18(29-22(24)28)13-7-10-15-8-3-1-4-9-15/h1-13,17H,14H2/t17-/m0/s1 |
| InChIK | RWSRJUNGNDTLNN-KRWDZBQOSA-N |
| TotalMolweight | 420.512 |
| Molweight | 420.512 |
| MonoisotopicMass | 420.060233 |
| CLogP | 2.5756 |
| CLogS | -5.176 |
| H Acceptors | 5 |
| TotalSurfaceArea | 307.54 |
| Relative PSA | 0.29821 |
| PolarSurfaceArea | 115.08 |
| Druglikeness | 4.8853 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3S)-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione | 2 - (3S)-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-1-phenylpyrrolidine-2,5-dione
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